(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

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled57.1% of notifiers
H302 Harmful if swallowed85.7% of notifiers
H312 Harmful in contact with skin85.7% of notifiers
H332 Harmful if inhaled85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

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

4 names

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

Similar compounds

(4-Pyridylthio)acetic acid10351-19-653 % similar Isonicotinoyl chloride hydrochloride39178-35-344 % similar 4-Pyridineacetic acid hydrochloride6622-91-938 % similar 4-Picolyl chloride hydrochloride1822-51-136 % similar 4-Chloropyridine hydrochloride7379-35-335 % similar 4,4′-Dithiodipyridine2645-22-934 % similar (Phenylthio)acetic acid103-04-833 % similar Nicotinic acid chloride hydrochloride20260-53-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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