3-chloro-5-[(2-cyanoethyl)(methyl)amino]-1,2-thiazole-4-carbonitrile

3-chloro-5-[(2-cyanoethyl)(methyl)amino]-1,2-thiazole-4-carbonitrile

CAS: 866009-35-0

Formula: C8H7ClN4S

SMILES: CN(CCC#N)C1=C(C#N)C(Cl)=NS1

IUPAC: 3-chloro-5-[(2-cyanoethyl)(methyl)amino]-1,2-thiazole-4-carbonitrile

InChI: InChI=1S/C8H7ClN4S/c1-13(4-2-3-10)8-6(5-11)7(9)12-14-8/h2,4H2,1H3

Composition: C (42.39%), H (3.11%), Cl (15.64%), N (24.72%), S (14.14%)

Molar Mass: 226.68

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.0079951
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	CZASOKUWUIOKLL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.94
Topological Polar Surface Area	63.71
Polarizability	20.4
Ring Count	1
Rotatable Bond Count	3

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90%	<2 Days	866009-35-0		$51.35-$524.40$51.35$63.37$86.31$524.40