2-Thiopheneacetyl chloride

C₆H₅ClOSCAS 39098-97-0160.61 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation41.8% of notifiers

Aggregated from 110 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

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-chloromethylThiophene765-50-447 % similar 3-(2-Thienyl)propanoic acid5928-51-844 % similar 2-Thiophenecarbonyl chloride5271-67-042 % similar 2-Thiophenebutanoic acid4653-11-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Acetyl-4-chlorothiophene34730-20-6 3-Methylthiophene-2-carbonyl chloride61341-26-2 2-Acetyl-5-chlorothiophene6310-09-4

Elsewhere

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