chempirical

4,5,6,7-Tetrahydrobenzo[B]thiophene-2-carboxylic acid

C9H10O2SCAS 40133-07-1182.24 g/mol

Open in Covalent MOL file
OHOS
AlcoholCarboxylic AcidSulfide

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

Identifiers

CAS number
40133-07-1
SMILES
O=C(O)c1cc2c(s1)CCCC2
InChIKey
ROLXOQXKNDKXTA-UHFFFAOYSA-N
InChI
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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

2-[(Phenylmethyl)thio]acetic acid103-46-8 4-(Methylthio)benzeneacetic acid16188-55-9 (2-Propen-1-ylsulfonyl)benzene16212-05-8 Methyl 2-(phenylthio)acetate17277-58-6 o-(Methylthio)benzoic acid methyl ester3704-28-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook