2-Thiophenecarbonyl chloride

C5H3ClOSCAS 5271-67-0146.59 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
Boiling point
205–210 °C
logP
2.13Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 87 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
5271-67-0
SMILES
O=C(Cl)c1cccs1
InChIKey
QIQITDHWZYEEPA-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClOS/c6-5(7)4-2-1-3-8-4/h1-3H

Weigh it out

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

Names and synonyms

12 names
  • 2-Thenoyl chloride
  • Thenoyl chloride
  • 2-Thiophenecarboxylic chloride
  • 2-Thienylcarbonyl chloride
  • 2-(Chloroformyl)thiophene
  • α-Thenoyl chloride
  • 2-Thiophenecarboxylic acid chloride
  • 2-(Chlorocarbonyl)thiophene
  • 2-Thiopheneformyl chloride
  • Thiophen-2-ylcarbonyl chloride
  • 2-Thiophencarbonyl chloride
  • 7-Cyanoheptyl thiophene-2-carboxylate

Work with 2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Thienyl ketone704-38-158 % similar 2,2'-Thenil7333-07-558 % similar Thiophene-2-carboxylic anhydride25569-97-552 % similar Thiophene-2-carboxylic acid527-72-052 % similar 2-Thiophenecarboxamide5813-89-852 % similar 2-Acetylthiophene88-15-352 % similar 2-Benzoylthiophene135-00-248 % similar 2-Bromo-1-(thiophen-2-yl)ethan-1-one10531-41-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Thiophenecarbonyl chloride41507-35-1 3-Chlorothiophene-2-carbaldehyde67482-48-8 5-Chloro-2-thiophenecarboxaldehyde7283-96-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook