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 |