TCM
Summary
| Name: | THIOCAMPHOR |
| Formula: | C10 H16 S |
| Formal charge: | 0 |
| Formula weight: | 168.299 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione |
| OpenEye OEToolkits | 1.5.0 | (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-6-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=C1CC2CCC1(C)C2(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)[C@@H]2CC[C@@]1(C)C(=S)C2 |
| SMILES | CACTVS | 3.341 | CC1(C)[CH]2CC[C]1(C)C(=S)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1([C@@H]2CC[C@]1(C(=S)C2)C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C2CCC1(C(=S)C2)C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H16S/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | AAADKYXUTOBAGS-XCBNKYQSSA-N |
