chempirical

2-Thiopheneacetyl chloride

C6H5ClOSCAS 39098-97-0160.61 g/mol

Open in Covalent MOL file
OClS
Acyl halide

Properties

Molecular formula
C6H5ClOS
Molar mass
160.61 g/mol
Exact mass
159.9750 Da
Boiling point
105–106 °C (at 22 Torr)
logP
2.06Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
39098-97-0
SMILES
O=C(Cl)Cc1cccs1
InChIKey
AJYXPNIENRLELY-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2

Weigh it out

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

Names and synonyms

7 names
  • 2-Thienylacetyl chloride
  • Thienylacetyl chloride
  • 2-(2-Thienyl)acetyl chloride
  • Thiophene-2-acetic acid chloride
  • Thiophen-2-ylacetyl chloride
  • 2-(2-Thienyl)ethanoyl chloride
  • 2-(Thiophen-2-yl)acetyl chloride

Work with 2-Thiopheneacetyl 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

Thiophene-2-acetic acid1918-77-056 % similar Methyl (2-thienyl)acetate19432-68-953 % similar Ethyl 2-thienylacetate57382-97-551 % similar Phenylacetyl chloride103-80-048 % similar 2-(Chloromethyl)thiophene765-50-447 % similar 2-Thiophenecarbonyl chloride5271-67-042 % similar 2-Thiophenebutanoic acid4653-11-642 % similar 2-Thiophenemethanamine27757-85-342 % similar

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

Same formula

2-Acetyl-5-chlorothiophene6310-09-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook