HTS
Summary
| Name: | 2-MERCAPTOPHENOL |
| Synonyms: | 2-HYDROXYTHIOPHENOL |
| Formula: | C6 H6 O S |
| Formal charge: | 0 |
| Formula weight: | 126.176 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-sulfanylphenol |
| OpenEye OEToolkits | 1.7.6 | 2-sulfanylphenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(c(ccc1)S)O |
| InChI | InChI | 1.03 | InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H |
| InChIKey | InChI | 1.03 | VMKYTRPNOVFCGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1S |
| SMILES | CACTVS | 3.385 | Oc1ccccc1S |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)O)S |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)O)S |
