(Phenylthio)acetic acid
Properties
- Molecular formula
- C8H8O2S
- Molar mass
- 168.21 g/mol
- Exact mass
- 168.0245 Da
- Melting point
- 65 °C
- logP
- 1.86Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 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
103-04-8SMILES
O=C(O)CSc1ccccc1InChIKey
MOTOSAGBNXXRRE-UHFFFAOYSA-NInChI
InChI=1S/C8H8O2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Acetic acid, 2-(phenylthio)-
- Acetic acid, (phenylthio)-
- 2-(Phenylthio)acetic acid
- α-Carboxythioanisole
- Phenylmercaptoacetic acid
- Carboxymethyl phenyl sulfide
- Phenylthioglycolic acid
- (S-Phenylmercapto)acetic acid
- Thiophenoxyacetic acid
- 2-(Phenylsulfanyl)acetic acid
- NSC 9582
Work with (Phenylthio)acetic acid
Similar compounds
(4-Pyridylthio)acetic acid10351-19-669 % similar
2-[(4-Aminophenyl)thio]acetic acid104-18-767 % similar
2-[(4-Fluorophenyl)thio]acetic acid332-51-467 % similar
2-((4-Chlorophenyl)sulfanyl)acetic acid3405-88-767 % similar
2-[(4-Methylphenyl)sulfanyl]acetic acid3996-29-067 % similar
2-((Phenylmethyl)thio)acetic acid103-46-858 % similar
2-[(Diphenylmethyl)thio]acetic acid63547-22-858 % similar
2-[(Carboxymethyl)thio]benzoic acid135-13-756 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds