(4-Pyridylthio)acetyl chloride hydrochloride

C₇H₇Cl₂NOSCAS 27230-51-9224.10 g/mol

Open in Covalent MOL file

Acyl halide Sulfide

Properties

Molecular formula: C₇H₇Cl₂NOS
Molar mass: 224.10 g/mol
Exact mass: 222.9625 Da
logP: 2.36Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

27230-51-9

SMILES

Cl.O=C(Cl)CSc1ccncc1

InChIKey

ONINFWNBKWMUCA-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNOS.ClH/c8-7(10)5-11-6-1-3-9-4-2-6;/h1-4H,5H2;1H

Weigh it out

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

Names and synonyms

3 names

Acetyl chloride, 2-(4-pyridinylthio)-, hydrochloride (1:1)
Acetyl chloride, (4-pyridylthio)-, hydrochloride
Acetyl chloride, (4-pyridinylthio)-, hydrochloride

Work with (4-Pyridylthio)acetyl chloride hydrochloride

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook