M3T
Summary
Name: | 3-methylbenzenethiol |
Formula: | C7 H8 S |
Formal charge: | 0 |
Formula weight: | 124.203 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-methylbenzenethiol |
OpenEye OEToolkits | 1.7.6 | 3-methylbenzenethiol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Sc1cc(ccc1)C |
InChI | InChI | 1.03 | InChI=1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 |
InChIKey | InChI | 1.03 | WRXOZRLZDJAYDR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(S)c1 |
SMILES | CACTVS | 3.385 | Cc1cccc(S)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc(c1)S |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc(c1)S |