4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid
Properties
- Molecular formula
- C9H10O2S
- Molar mass
- 182.24 g/mol
- Exact mass
- 182.0402 Da
- Melting point
- 183 °C
- logP
- 2.33Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
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
40133-07-1SMILES
O=C(O)c1cc2c(s1)CCCC2InChIKey
ROLXOQXKNDKXTA-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-
- 4,5,6,7-Tetrahydrobenzothiophene-2-carboxylic acid
- 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid
Work with 4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid
Similar compounds
4,6-Dihydrothieno[3,4-B]thiophene-2-carboxylic acid7712-05-260 % similar
5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-147 % similar
Dithieno[3,2-b:2′,3′-d]thiophene-2,6-dicarboxylic acid502764-53-647 % similar
2,5-Thiophenedicarboxylic acid4282-31-945 % similar
4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-043 % similar
4,5-Dibromo-2-thiophenecarboxylic acid6324-10-343 % similar
Thieno(3,2-b)thiophene-2-carboxylic acid1723-27-942 % similar
Benzo[b]thiophene-2-carboxylic acid6314-28-942 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.