V7S
Summary
| Name: | 1,3-bis[(methylsulfanyl)methyl]benzene |
| Formula: | C10 H14 S2 |
| Formal charge: | 0 |
| Formula weight: | 198.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-bis[(methylsulfanyl)methyl]benzene |
| OpenEye OEToolkits | 2.0.7 | 1,3-bis(methylsulfanylmethyl)benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CSCc1cccc(c1)CSC |
| InChI | InChI | 1.03 | InChI=1S/C10H14S2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | InChI | 1.03 | NKECAPVBRBLMHU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCc1cccc(CSC)c1 |
| SMILES | CACTVS | 3.385 | CSCc1cccc(CSC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSCc1cccc(c1)CSC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSCc1cccc(c1)CSC |
