2-((Phenylmethyl)thio)acetic acid
Properties
- Molecular formula
- C9H10O2S
- Molar mass
- 182.24 g/mol
- Exact mass
- 182.0402 Da
- Melting point
- 61 °C
- logP
- 2.00Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 6 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
103-46-8SMILES
O=C(O)CSCc1ccccc1InChIKey
AWLVTQRRKPBQEQ-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2S/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 2-[(Phenylmethyl)thio]acetic acid
- Acetic acid, 2-[(phenylmethyl)thio]-
- Acetic acid, (benzylthio)-
- Acetic acid, [(phenylmethyl)thio]-
- S-Benzylthioglycolic acid
- Carboxymethyl benzyl sulfide
- (Benzylthio)acetic acid
- S-Benzylmercaptoacetic acid
- NSC 26553
- 2-(Benzylthio)acetic acid
- 2-(Benzylsulfanyl)acetic acid
- 2-Benzylsulfanylacetic acid
Work with 2-((Phenylmethyl)thio)acetic acid
Similar compounds
(Phenylthio)acetic acid103-04-858 % similar
1-[(Phenylmethyl)thio]-2-propanone10230-69-058 % similar
Phenylacetic acid103-82-257 % similar
Phenylpropanoic acid501-52-055 % similar
4-Phenylbutyric acid1821-12-153 % similar
2-[(Diphenylmethyl)thio]acetic acid63547-22-853 % similar
Thiodiglycolic acid123-93-352 % similar
Dibenzyl sulfide538-74-952 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.