SSB
Summary
| Name: | 3-BUTYLTHIOLANE 1-OXIDE |
| Formula: | C8 H16 O S |
| Formal charge: | 0 |
| Formula weight: | 160.277 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S,3S)-3-butyltetrahydrothiophene 1-oxide |
| OpenEye OEToolkits | 1.5.0 | (1S,3S)-3-butylthiolane 1-oxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S1CCC(CCCC)C1 |
| InChI | InChI | 1.03 | InChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3/t8-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | QVVQIIIFHZDBDL-WPRPVWTQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H]1CC[S@](=O)C1 |
| SMILES | CACTVS | 3.385 | CCCC[CH]1CC[S](=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CCCC[C@H]1CC[S@](=O)C1 |
| SMILES | OpenEye OEToolkits | 1.7.5 | CCCCC1CCS(=O)C1 |
