DSC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | O1S | doub | 1.46Å | 1.42Å | |
| S | O2S | doub | 1.45Å | 1.42Å | |
| S | O3S | sing | 1.45Å | 1.51Å | |
| S | C1 | sing | 1.81Å | 1.81Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1S | S | O2S | 117.7° | 109.6° |
| O1S | S | O3S | 107.2° | 109.6° |
| O1S | S | C1 | 108.4° | 109.3° |
| O2S | S | O3S | 109.0° | 109.6° |
| O2S | S | C1 | 111.5° | 109.4° |
| O3S | S | C1 | 101.7° | 109.3° |
| S | C1 | C2 | 113.8° | 109.4° |
| S | C1 | H11 | 110.6° | 109.4° |
| S | C1 | H12 | 110.6° | 109.5° |
| C2 | C1 | H11 | 110.7° | 109.5° |
| C2 | C1 | H12 | 110.6° | 109.5° |
| C1 | C2 | C3 | 109.0° | 109.5° |
| C1 | C2 | H21 | 112.3° | 109.5° |
| C1 | C2 | H22 | 112.3° | 109.5° |
| H11 | C1 | H12 | 99.6° | 109.5° |
| C3 | C2 | H21 | 112.4° | 109.4° |
| C3 | C2 | H22 | 112.4° | 109.5° |
| C2 | C3 | C4 | 111.8° | 109.5° |
| C2 | C3 | H31 | 111.3° | 109.5° |
| C2 | C3 | H32 | 111.3° | 109.5° |
| H21 | C2 | H22 | 98.1° | 109.5° |
| C4 | C3 | H31 | 111.4° | 109.4° |
| C4 | C3 | H32 | 111.4° | 109.4° |
| C3 | C4 | C5 | 110.2° | 109.5° |
| C3 | C4 | H41 | 111.9° | 109.4° |
| C3 | C4 | H42 | 111.9° | 109.5° |
| H31 | C3 | H32 | 99.0° | 109.5° |
| C5 | C4 | H41 | 111.9° | 109.5° |
| C5 | C4 | H42 | 111.9° | 109.5° |
| C4 | C5 | C6 | 110.7° | 109.5° |
| C4 | C5 | H51 | 111.7° | 109.4° |
| C4 | C5 | H52 | 111.7° | 109.4° |
| H41 | C4 | H42 | 98.5° | 109.5° |
| C6 | C5 | H51 | 111.8° | 109.5° |
| C6 | C5 | H52 | 111.8° | 109.5° |
| C5 | C6 | C7 | 110.0° | 109.5° |
| C5 | C6 | H61 | 112.0° | 109.5° |
| C5 | C6 | H62 | 112.0° | 109.5° |
| H51 | C5 | H52 | 98.6° | 109.5° |
| C7 | C6 | H61 | 112.0° | 109.4° |
| C7 | C6 | H62 | 112.0° | 109.5° |
| C6 | C7 | C8 | 111.9° | 109.5° |
| C6 | C7 | H71 | 111.3° | 109.5° |
| C6 | C7 | H72 | 111.3° | 109.5° |
| H61 | C6 | H62 | 98.4° | 109.5° |
| C8 | C7 | H71 | 111.3° | 109.4° |
| C8 | C7 | H72 | 111.3° | 109.4° |
| C7 | C8 | C9 | 109.1° | 109.5° |
| C7 | C8 | H81 | 112.4° | 109.4° |
| C7 | C8 | H82 | 112.4° | 109.5° |
| H71 | C7 | H72 | 99.1° | 109.5° |
| C9 | C8 | H81 | 112.3° | 109.5° |
| C9 | C8 | H82 | 112.3° | 109.5° |
| C8 | C9 | C10 | 111.6° | 109.5° |
| C8 | C9 | H91 | 111.4° | 109.4° |
| C8 | C9 | H92 | 111.4° | 109.4° |
| H81 | C8 | H82 | 98.0° | 109.5° |
| C10 | C9 | H91 | 111.4° | 109.5° |
| C10 | C9 | H92 | 111.4° | 109.5° |
| C9 | C10 | C11 | 111.5° | 109.5° |
| C9 | C10 | H101 | 111.5° | 109.5° |
| C9 | C10 | H102 | 111.5° | 109.5° |
| H91 | C9 | H92 | 99.0° | 109.5° |
| C11 | C10 | H101 | 111.5° | 109.4° |
| C11 | C10 | H102 | 111.4° | 109.5° |
| C10 | C11 | C12 | 107.9° | 109.5° |
| C10 | C11 | H111 | 112.8° | 109.4° |
| C10 | C11 | H112 | 112.8° | 109.4° |
| H101 | C10 | H102 | 98.9° | 109.5° |
| C12 | C11 | H111 | 112.8° | 109.5° |
| C12 | C11 | H112 | 112.8° | 109.5° |
| C11 | C12 | H121 | 107.9° | 109.5° |
| C11 | C12 | H122 | 112.8° | 109.4° |
| C11 | C12 | H123 | 112.8° | 109.4° |
| H111 | C11 | H112 | 97.6° | 109.5° |
| H121 | C12 | H122 | 112.8° | 109.5° |
| H121 | C12 | H123 | 112.8° | 109.5° |
| H122 | C12 | H123 | 97.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1S | S | O2S | O3S | 122.4° | 120.3° |
| O1S | S | O2S | C1 | 126.2° | 119.8° |
| O1S | S | O3S | C1 | 113.7° | 119.8° |
| O1S | S | C1 | C2 | 179.6° | 180.0° |
| O1S | S | C1 | H11 | 54.2° | 60.0° |
| O1S | S | C1 | H12 | 55.1° | 60.0° |
| O2S | S | O3S | C1 | 117.9° | 119.9° |
| O2S | S | C1 | C2 | 49.3° | 60.0° |
| O2S | S | C1 | H11 | 174.6° | 60.0° |
| O2S | S | C1 | H12 | 76.0° | 180.0° |
| O3S | S | C1 | C2 | 66.7° | 60.0° |
| O3S | S | C1 | H11 | 58.6° | 180.0° |
| O3S | S | C1 | H12 | 168.0° | 60.0° |
| S | C1 | C2 | H11 | 125.3° | 119.9° |
| S | C1 | C2 | H12 | 125.3° | 120.0° |
| S | C1 | H11 | H12 | 116.4° | 120.0° |
| S | C1 | C2 | C3 | 175.0° | 180.0° |
| S | C1 | C2 | H21 | 49.7° | 60.1° |
| S | C1 | C2 | H22 | 59.8° | 60.0° |
| C2 | C1 | H11 | H12 | 116.5° | 120.1° |
| C1 | C2 | C3 | H21 | 125.2° | 120.0° |
| C1 | C2 | C3 | H22 | 125.2° | 120.0° |
| C1 | C2 | H21 | H22 | 118.3° | 120.1° |
| C1 | C2 | C3 | C4 | 157.7° | 180.0° |
| C1 | C2 | C3 | H31 | 32.4° | 60.0° |
| C1 | C2 | C3 | H32 | 77.0° | 60.0° |
| H11 | C1 | C2 | C3 | 59.8° | 60.0° |
| H11 | C1 | C2 | H21 | 175.0° | 180.0° |
| H11 | C1 | C2 | H22 | 65.5° | 60.0° |
| H12 | C1 | C2 | C3 | 49.7° | 60.0° |
| H12 | C1 | C2 | H21 | 75.6° | 59.9° |
| H12 | C1 | C2 | H22 | 175.0° | 180.0° |
| C3 | C2 | H21 | H22 | 118.3° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 117.2° | 120.0° |
| C2 | C3 | C4 | C5 | 178.1° | NaN° |
| C2 | C3 | C4 | H41 | 56.6° | 60.0° |
| C2 | C3 | C4 | H42 | 52.9° | 60.0° |
| H21 | C2 | C3 | C4 | 77.0° | 60.0° |
| H21 | C2 | C3 | H31 | 157.7° | 180.0° |
| H21 | C2 | C3 | H32 | 48.3° | 60.0° |
| H22 | C2 | C3 | C4 | 32.5° | 60.0° |
| H22 | C2 | C3 | H31 | 92.8° | 60.0° |
| H22 | C2 | C3 | H32 | 157.8° | 179.9° |
| C4 | C3 | H31 | H32 | 117.3° | 119.9° |
| C3 | C4 | C5 | H41 | 125.2° | 120.0° |
| C3 | C4 | C5 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H42 | 117.9° | 119.9° |
| C3 | C4 | C5 | C6 | 175.6° | 180.0° |
| C3 | C4 | C5 | H51 | 59.1° | 60.0° |
| C3 | C4 | C5 | H52 | 50.3° | 60.0° |
| H31 | C3 | C4 | C5 | 52.8° | 60.0° |
| H31 | C3 | C4 | H41 | 178.1° | NaN° |
| H31 | C3 | C4 | H42 | 72.4° | 60.1° |
| H32 | C3 | C4 | C5 | 56.6° | 60.0° |
| H32 | C3 | C4 | H41 | 68.6° | 60.0° |
| H32 | C3 | C4 | H42 | 178.2° | 180.0° |
| C5 | C4 | H41 | H42 | 117.9° | 120.0° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 117.6° | 120.0° |
| C4 | C5 | C6 | C7 | 176.7° | 180.0° |
| C4 | C5 | C6 | H61 | 58.1° | 60.0° |
| C4 | C5 | C6 | H62 | 51.4° | 60.0° |
| H41 | C4 | C5 | C6 | 50.4° | 60.0° |
| H41 | C4 | C5 | H51 | 175.7° | 180.0° |
| H41 | C4 | C5 | H52 | 74.9° | 60.0° |
| H42 | C4 | C5 | C6 | 59.2° | 60.0° |
| H42 | C4 | C5 | H51 | 66.1° | 60.0° |
| H42 | C4 | C5 | H52 | 175.6° | 180.0° |
| C6 | C5 | H51 | H52 | 117.7° | 120.1° |
| C5 | C6 | C7 | H61 | 125.2° | 120.0° |
| C5 | C6 | C7 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 117.9° | 120.1° |
| C5 | C6 | C7 | C8 | 67.2° | 180.0° |
| C5 | C6 | C7 | H71 | 58.0° | 60.0° |
| C5 | C6 | C7 | H72 | 167.6° | 60.0° |
| H51 | C5 | C6 | C7 | 51.4° | 60.0° |
| H51 | C5 | C6 | H61 | 176.7° | 180.0° |
| H51 | C5 | C6 | H62 | 73.9° | 60.0° |
| H52 | C5 | C6 | C7 | 58.1° | 60.0° |
| H52 | C5 | C6 | H61 | 67.2° | 59.9° |
| H52 | C5 | C6 | H62 | 176.7° | 180.0° |
| C7 | C6 | H61 | H62 | 118.0° | 120.0° |
| C6 | C7 | C8 | H71 | 125.2° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 117.3° | 120.0° |
| C6 | C7 | C8 | C9 | 170.0° | NaN° |
| C6 | C7 | C8 | H81 | 44.7° | 60.0° |
| C6 | C7 | C8 | H82 | 64.7° | 60.0° |
| H61 | C6 | C7 | C8 | 167.6° | 60.0° |
| H61 | C6 | C7 | H71 | 67.2° | 180.0° |
| H61 | C6 | C7 | H72 | 42.3° | 60.0° |
| H62 | C6 | C7 | C8 | 58.1° | 60.0° |
| H62 | C6 | C7 | H71 | 176.7° | 60.0° |
| H62 | C6 | C7 | H72 | 67.2° | 179.9° |
| C8 | C7 | H71 | H72 | 117.2° | 119.9° |
| C7 | C8 | C9 | H81 | 125.3° | 120.0° |
| C7 | C8 | C9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 118.3° | 119.9° |
| C7 | C8 | C9 | C10 | 178.3° | 180.0° |
| C7 | C8 | C9 | H91 | 56.5° | 60.0° |
| C7 | C8 | C9 | H92 | 53.1° | 60.0° |
| H71 | C7 | C8 | C9 | 64.7° | 60.0° |
| H71 | C7 | C8 | H81 | 170.0° | NaN° |
| H71 | C7 | C8 | H82 | 60.5° | 60.1° |
| H72 | C7 | C8 | C9 | 44.8° | 60.0° |
| H72 | C7 | C8 | H81 | 80.5° | 60.0° |
| H72 | C7 | C8 | H82 | 170.0° | 180.0° |
| C9 | C8 | H81 | H82 | 118.2° | 120.0° |
| C8 | C9 | C10 | H91 | 125.2° | 120.0° |
| C8 | C9 | C10 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 117.4° | 120.0° |
| C8 | C9 | C10 | C11 | 81.4° | 180.0° |
| C8 | C9 | C10 | H101 | 153.3° | 60.0° |
| C8 | C9 | C10 | H102 | 43.8° | 60.0° |
| H81 | C8 | C9 | C10 | 53.1° | 60.0° |
| H81 | C8 | C9 | H91 | 178.2° | 180.0° |
| H81 | C8 | C9 | H92 | 72.2° | 60.0° |
| H82 | C8 | C9 | C10 | 56.4° | 60.0° |
| H82 | C8 | C9 | H91 | 68.8° | 60.0° |
| H82 | C8 | C9 | H92 | 178.4° | 180.0° |
| C10 | C9 | H91 | H92 | 117.3° | 120.1° |
| C9 | C10 | C11 | H101 | 125.3° | 120.0° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 117.4° | 120.1° |
| C9 | C10 | C11 | C12 | 73.9° | 180.0° |
| C9 | C10 | C11 | H111 | 160.8° | 60.0° |
| C9 | C10 | C11 | H112 | 51.4° | 60.0° |
| H91 | C9 | C10 | C11 | 43.8° | 60.0° |
| H91 | C9 | C10 | H101 | 81.4° | NaN° |
| H91 | C9 | C10 | H102 | 169.1° | 60.0° |
| H92 | C9 | C10 | C11 | 153.3° | 60.0° |
| H92 | C9 | C10 | H101 | 28.1° | 59.9° |
| H92 | C9 | C10 | H102 | 81.4° | 180.0° |
| C11 | C10 | H101 | H102 | 117.3° | 120.0° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 118.7° | 120.0° |
| C10 | C11 | C12 | H121 | 180.0° | 180.0° |
| C10 | C11 | C12 | H122 | 54.7° | 60.0° |
| C10 | C11 | C12 | H123 | 54.7° | 60.0° |
| H101 | C10 | C11 | C12 | 51.4° | 60.0° |
| H101 | C10 | C11 | H111 | 73.8° | 180.0° |
| H101 | C10 | C11 | H112 | 176.7° | 60.0° |
| H102 | C10 | C11 | C12 | 160.8° | 60.0° |
| H102 | C10 | C11 | H111 | 35.6° | 60.0° |
| H102 | C10 | C11 | H112 | 73.9° | 180.0° |
| C12 | C11 | H111 | H112 | 118.7° | 120.0° |
| C11 | C12 | H121 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H123 | 125.3° | 119.9° |
| C11 | C12 | H122 | H123 | 118.7° | 119.9° |
| H111 | C11 | C12 | H121 | 54.7° | 60.0° |
| H111 | C11 | C12 | H122 | 180.0° | 60.0° |
| H111 | C11 | C12 | H123 | 70.5° | 180.0° |
| H112 | C11 | C12 | H121 | 54.7° | 60.0° |
| H112 | C11 | C12 | H122 | 70.5° | 180.0° |
| H112 | C11 | C12 | H123 | 180.0° | 60.0° |
| H121 | C12 | H122 | H123 | 118.7° | 120.1° |
