2-Mercaptophenol
Properties
- Molecular formula
- C6H6OS
- Molar mass
- 126.17 g/mol
- Exact mass
- 126.0139 Da
- Melting point
- 5.5 °C
- Boiling point
- 217 °C
- logP
- 1.68Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H314 Causes severe skin burns and eye damage98% of notifiers
- H318 Causes serious eye damage83.7% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501
Identifiers
CAS number
1121-24-0SMILES
Oc1ccccc1SInChIKey
VMKYTRPNOVFCGZ-UHFFFAOYSA-NInChI
InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Phenol, 2-mercapto-
- Phenol, o-mercapto-
- o-Mercaptophenol
- 2-Hydroxythiophenol
- 2-Hydroxybenzenethiol
- o-Hydroxybenzenethiol
- o-Hydroxythiophenol
- 2-Sulfanylphenol
Work with 2-Mercaptophenol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Catechol120-80-956 % similar
Benzene-1,2-dithiol17534-15-556 % similar
(1,1'-Biphenyl)-2,2'-diol1806-29-748 % similar
2-Bromothiophenol6320-02-143 % similar
2-Bromophenol95-56-743 % similar
2-Mercaptobenzenemethanol4521-31-742 % similar
2-Methylbenzenethiol137-06-442 % similar
2-Aminothiophenol137-07-542 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.