2-Thiophenebutanoic acid
Properties
- Molecular formula
- C8H10O2S
- Molar mass
- 170.23 g/mol
- Exact mass
- 170.0402 Da
- Density
- 1.184 g/mL (at 19 °C)
- Melting point
- 13.5–15 °C
- Boiling point
- 130–134 °C (at 1.5 Torr)
- logP
- 2.16Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H335 May cause respiratory irritation86.7% of notifiers
Aggregated from 45 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
4653-11-6SMILES
O=C(O)CCCc1cccs1InChIKey
VYTXLSQVYGNWLV-UHFFFAOYSA-NInChI
InChI=1S/C8H10O2S/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 2-Thiophenebutyric acid
- 4-(2-Thienyl)butyric acid
- 4-(2-Thienyl)butanoic acid
- 4-Thiophen-2-ylbutyric acid
- 4-(Thiophen-2-yl)butanoic acid
Work with 2-Thiophenebutanoic acid
Similar compounds
5-(2-Thienyl)valeric acid21010-06-090 % similar
3-(2-Thienyl)propanoic acid5928-51-881 % similar
Thiophene-2-acetic acid1918-77-064 % similar
4-Phenylbutyric acid1821-12-158 % similar
γ-Oxo-2-thiophenebutanoic acid4653-08-157 % similar
Benzenepentanoic acid2270-20-451 % similar
9-Phenylnonanoic acid16269-06-050 % similar
8-Phenyloctanoic acid26547-51-350 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.