2-(pyridin-4-ylsulfanyl)acetyl chloride hydrochloride

2-(pyridin-4-ylsulfanyl)acetyl chloride hydrochloride

CAS: 27230-51-9

Formula: C7H7Cl2NOS

SMILES: Cl.ClC(=O)CSC1=CC=NC=C1

IUPAC: 2-(pyridin-4-ylsulfanyl)acetyl chloride hydrochloride

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

Composition: C (37.52%), H (3.15%), Cl (31.64%), N (6.25%), O (7.14%), S (14.31%)

Molar Mass: 224.1

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.9625404
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ONINFWNBKWMUCA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.75
Topological Polar Surface Area	29.96
Polarizability	18.12
Ring Count	1
Rotatable Bond Count	3

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