2-[(4-Methylphenyl)sulfanyl]acetic acid
Properties
- Molecular formula
- C9H10O2S
- Molar mass
- 182.24 g/mol
- Exact mass
- 182.0402 Da
- logP
- 2.17Crippen 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 irritation100% of notifiers
Aggregated from the 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
3996-29-0SMILES
CC1=CC=C(C=C1)SCC(=O)OInChIKey
XCRDQVBOVYWDPH-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2S/c1-7-2-4-8(5-3-7)12-6-9(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
1 names
- 4-Methyl phenyl thioacetic acid
Work with 2-[(4-Methylphenyl)sulfanyl]acetic acid
Similar compounds
(Phenylthio)acetic acid103-04-867 % similar
2-[(4-Aminophenyl)thio]acetic acid104-18-764 % similar
2-[(4-Fluorophenyl)thio]acetic acid332-51-464 % similar
2-((4-Chlorophenyl)sulfanyl)acetic acid3405-88-764 % similar
(4-Pyridylthio)acetic acid10351-19-661 % similar
p-Tolylacetic acid622-47-955 % similar
2-(3,4-Dimethoxyphenylthio)acetic acid95735-63-054 % similar
3-(P-Tolyl)propionic acid1505-50-653 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.