4-Mercaptophenylacetic acid
Properties
- Molecular formula
- C8H8O2S
- Molar mass
- 168.21 g/mol
- Exact mass
- 168.0245 Da
- Melting point
- 97.5–100 °C
- logP
- 1.60Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage87.2% of notifiers
- H319 Causes serious eye irritation12.8% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
39161-84-7SMILES
O=C(O)Cc1ccc(S)cc1InChIKey
ORXSLDYRYTVAPC-UHFFFAOYSA-NInChI
InChI=1S/C8H8O2S/c9-8(10)5-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzeneacetic acid, 4-mercapto-
- 4-Mercaptobenzeneacetic acid
- p-Mercaptophenylacetic acid
- 2-(4-Mercaptophenyl)acetic acid
- (4-Carboxymethyl)thiophenol
- (4-Sulfanylphenyl)acetic acid
- 2-(4-Sulfanylphenyl)acetic acid
Work with 4-Mercaptophenylacetic acid
Similar compounds
1,4-Benzenediacetic acid7325-46-475 % similar
4-Hydroxyphenylacetic acid156-38-762 % similar
4-Pyridineacetic acid28356-58-362 % similar
4-(Hydroxymethyl)phenylacetic acid73401-74-862 % similar
Phenylacetic acid103-82-261 % similar
4-Aminophenylacetic acid1197-55-360 % similar
4-(Bromomethyl)phenylacetic acid13737-36-560 % similar
4-Iodophenylacetic acid1798-06-760 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds