2-(Methylthio)benzoic acid
Properties
- Molecular formula
- C8H8O2S
- Molar mass
- 168.21 g/mol
- Exact mass
- 168.0245 Da
- Melting point
- 169–170 °C
- logP
- 2.11Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation17.8% of notifiers
- H319 Causes serious eye irritation17.8% of notifiers
- H335 May cause respiratory irritation15.6% 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
3724-10-5SMILES
CSc1ccccc1C(=O)OInChIKey
LWJQGKJCZOGGPJ-UHFFFAOYSA-NInChI
InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Benzoic acid, 2-(methylthio)-
- Benzoic acid, o-(methylthio)-
- Benzoic acid, o-methylmercapto-
- o-(Methylthio)benzoic acid
- 2-Methylmercaptobenzoic acid
- 2-Carboxyphenyl methyl sulfide
- NSC 104019
- NSC 145347
- NSC 151478
- NSC 218090
- NSC 221934
- NSC 266228
Work with 2-(Methylthio)benzoic acid
Similar compounds
2,2′-Dithiodibenzoic acid119-80-269 % similar
Phthalic acid88-99-359 % similar
2-(Difluoromethylthio)benzoic acid79676-56-557 % similar
2-[(Carboxymethyl)thio]benzoic acid135-13-756 % similar
2-(Methylthio)nicotinic acid74470-23-856 % similar
o-(Methylthio)benzoic acid methyl ester3704-28-754 % similar
Diphenic acid482-05-353 % similar
Ammonium phthalate523-24-053 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds