4-Mercaptobenzoic acid
Properties
- Molecular formula
- C7H6O2S
- Molar mass
- 154.18 g/mol
- Exact mass
- 154.0089 Da
- Melting point
- 216–219 °C
- logP
- 1.67Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H335 May cause respiratory irritation95.6% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1074-36-8SMILES
O=C(O)c1ccc(S)cc1InChIKey
LMJXSOYPAOSIPZ-UHFFFAOYSA-NInChI
InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzoic acid, 4-mercapto-
- Benzoic acid, p-mercapto-
- p-Mercaptobenzoic acid
- 4-Carboxybenzenethiol
- 4-Carboxythiophenol
- p-Carboxybenzenethiol
- NSC 32022
Work with 4-Mercaptobenzoic acid
Similar compounds
Terephthalic acid100-21-071 % similar
Tetrakis(4-carboxyphenyl)ethylene1351279-73-663 % similar
[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-463 % similar
[1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-263 % similar
4,4′-Oxybis[benzoic acid]2215-89-658 % similar
Isonicotinic acid55-22-158 % similar
4-Hydroxybenzoic acid99-96-758 % similar
Benzoic acid65-85-056 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds