chempirical

3-Thiophenecarbonyl chloride

C5H3ClOSCAS 41507-35-1146.59 g/mol

Open in Covalent MOL file
OClS
Acyl halide

Properties

Molecular formula
C5H3ClOS
Molar mass
146.59 g/mol
Exact mass
145.9593 Da
Melting point
50–52 °C
logP
2.13Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
41507-35-1
SMILES
O=C(Cl)c1ccsc1
InChIKey
QTWBEVAYYDZLQL-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClOS/c6-5(7)4-1-2-8-3-4/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 3-Thienoyl chloride
  • 3-Thenoyl chloride
  • 3-Thienylcarbonyl chloride
  • 3-Thiophenecarboxylic acid chloride
  • 3-Chlorocarbonylthiophene

Work with 3-Thiophenecarbonyl chloride

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

Similar compounds

Terephthaloyl chloride100-20-954 % similar 3-Acetylthiophene1468-83-352 % similar 4,4′-Biphenyldicarbonyl chloride2351-37-348 % similar Benzoyl chloride98-88-448 % similar Trimesoyl chloride4422-95-148 % similar Methyl 3-thiophenecarboxylate22913-26-447 % similar Isophthaloyl chloride99-63-846 % similar 4-Chlorobenzoyl chloride122-01-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Thiophenecarbonyl chloride5271-67-0 5-Chloro-2-thiophenecarboxaldehyde7283-96-7

Elsewhere

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