3-Mercaptobenzoic acid
Properties
- Molecular formula
- C7H6O2S
- Molar mass
- 154.18 g/mol
- Exact mass
- 154.0089 Da
- Melting point
- 146–147 °C
- logP
- 1.67Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage95.2% of notifiers
- H335 May cause respiratory irritation95.2% of notifiers
Aggregated from 42 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4869-59-4SMILES
O=C(O)c1cccc(S)c1InChIKey
RSFDFESMVAIVKO-UHFFFAOYSA-NInChI
InChI=1S/C7H6O2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoic acid, 3-mercapto-
- Benzoic acid, m-mercapto-
- m-Mercaptobenzoic acid
- NSC 32021
- 3-Sulfanylbenzoic acid
Work with 3-Mercaptobenzoic acid
Similar compounds
Isophthalic acid121-91-569 % similar
3-Fluorobenzoic acid455-38-958 % similar
3-Chlorobenzoic acid535-80-858 % similar
3-Bromobenzoic acid585-76-258 % similar
3-Hydroxybenzoic acid99-06-958 % similar
3,3'-Disulfanediyldibenzoic acid1227-49-256 % similar
3-Iodobenzoic acid618-51-956 % similar
[1,1′-Biphenyl]-3-carboxylic acid716-76-756 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds