XPT
Summary
| Name: | 1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane |
| Formula: | C9 H21 Cl S |
| Formal charge: | 0 |
| Formula weight: | 196.781 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane |
| OpenEye OEToolkits | 1.7.0 | 1-[chloro(dipropyl)-$l^{4}-sulfanyl]propane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClS(CCC)(CCC)CCC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC[S](Cl)(CCC)CCC |
| SMILES | CACTVS | 3.370 | CCC[S](Cl)(CCC)CCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCS(CCC)(CCC)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCS(CCC)(CCC)Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H21ClS/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3 |
| InChIKey | InChI | 1.03 | OKMMYIYQBZXYLN-UHFFFAOYSA-N |
