4-(Methylthio)benzeneacetic acid
Properties
- Molecular formula
- C9H10O2S
- Molar mass
- 182.24 g/mol
- Exact mass
- 182.0402 Da
- Melting point
- 92–94 °C
- logP
- 2.04Crippen 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 irritation97.7% of notifiers
Aggregated from 44 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
16188-55-9SMILES
CSc1ccc(CC(=O)O)cc1InChIKey
AHMLFHMRRBJCRM-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzeneacetic acid, 4-(methylthio)-
- Acetic acid, [p-(methylthio)phenyl]-
- 4-(Methylthio)phenylacetic acid
- [p-(Methylthio)phenyl]acetic acid
- 2-[4-(Methylthio)phenyl]acetic acid
- (4-Methylsulfanylphenyl)acetic acid
- 2-(4-Methylsulfanylphenyl)acetic acid
- 2-[4-(Methylsulfanyl)phenyl]acetic acid
Work with 4-(Methylthio)benzeneacetic acid
Similar compounds
1,4-Benzenediacetic acid7325-46-467 % similar
p-Tolylacetic acid622-47-959 % similar
4-(Trifluoromethylthio)phenylacetic acid102582-93-458 % similar
4-[(Trifluoromethyl)thio]benzeneacetic acid243977-23-358 % similar
4-Hydroxyphenylacetic acid156-38-756 % similar
4-(Hydroxymethyl)phenylacetic acid73401-74-856 % similar
Actarit18699-02-056 % similar
Phenylacetic acid103-82-255 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.