2-Mercaptobenzenemethanol
Properties
- Molecular formula
- C7H8OS
- Molar mass
- 140.20 g/mol
- Exact mass
- 140.0296 Da
- Melting point
- 30–31 °C
- Boiling point
- 85 °C
- logP
- 1.47Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
4521-31-7SMILES
OCc1ccccc1SInChIKey
FYWFCRHZXORPFH-UHFFFAOYSA-NInChI
InChI=1S/C7H8OS/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzenemethanol, 2-mercapto-
- Benzyl alcohol, o-mercapto-
- o-Mercaptobenzyl alcohol
- Thiosalicyl alcohol
- 2-Mercaptobenzyl alcohol
- o-(Hydroxymethyl)benzenethiol
- 2-(Hydroxymethyl)benzenethiol
- 2-Sulfanylbenzenemethanol
- 2-(Hydroxymethyl)thiophenol
- (2-Mercaptophenyl)methanol
- (2-Sulfanylphenyl)methanol
Work with 2-Mercaptobenzenemethanol
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
1,2-Benzenedimethanol612-14-662 % similar
2-Ethylbenzenethiol4500-58-754 % similar
2-Bromobenzyl alcohol18982-54-250 % similar
Salicyl alcohol90-01-750 % similar
2-Chlorobenzyl alcohol17849-38-648 % similar
2-Fluorobenzyl alcohol446-51-548 % similar
2-Iodobenzyl alcohol5159-41-148 % similar
[1,1′-Biphenyl]-2-methanol2928-43-046 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds