chempirical

2-Thiophenebutanoic acid

C8H10O2SCAS 4653-11-6170.23 g/mol

Open in Covalent MOL file
OHOS
AlcoholCarboxylic AcidSulfide

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

Identifiers

CAS number
4653-11-6
SMILES
O=C(O)CCCc1cccs1
InChIKey
VYTXLSQVYGNWLV-UHFFFAOYSA-N
InChI
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

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

[(Methylsulfonyl)methyl]benzene3112-90-1 Methyl P-tolyl sulfone3185-99-7 Ethyl 2-thienylacetate57382-97-5 S-(2-Furanylmethyl) propanethioate59020-85-8 (Ethylsulfonyl)benzene599-70-2

Elsewhere

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