4,5-Dimethyl-2-thiophenecarboxylic acid
Properties
- Molecular formula
- C7H8O2S
- Molar mass
- 156.20 g/mol
- Exact mass
- 156.0245 Da
- Melting point
- 210–212 °C
- logP
- 2.06Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation11.4% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation11.4% 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
40808-24-0SMILES
Cc1cc(C(=O)O)sc1CInChIKey
RZCDKLUMNAKVFB-UHFFFAOYSA-NInChI
InChI=1S/C7H8O2S/c1-4-3-6(7(8)9)10-5(4)2/h3H,1-2H3,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 2-Thiophenecarboxylic acid, 4,5-dimethyl-
- 4,5-Dimethylthiophene-2-carboxylic acid
Work with 4,5-Dimethyl-2-thiophenecarboxylic acid
Similar compounds
2,4,5-Trimethylbenzoic acid528-90-550 % similar
Dithieno[3,2-b:2′,3′-d]thiophene-2,6-dicarboxylic acid502764-53-648 % similar
2,5-Dimethylterephthalic acid6051-66-748 % similar
5-Methyl-2-thiophenecarboxylic acid1918-79-247 % similar
3,4-Dimethylbenzoic acid619-04-547 % similar
4,6-Dimethylisophthalic acid2790-09-247 % similar
2,5-Thiophenedicarboxylic acid4282-31-947 % similar
4-Methyl-2-thiophenecarboxylic acid14282-78-146 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds