2-bromo-1,3-thiazole-4-carbonitrile

2-bromo-1,3-thiazole-4-carbonitrile

CAS: 848501-90-6

Formula: C4HBrN2S

SMILES: BrC1=NC(=CS1)C#N

IUPAC: 2-bromo-1,3-thiazole-4-carbonitrile

InChI: InChI=1S/C4HBrN2S/c5-4-7-3(1-6)2-8-4/h2H

Composition: C (25.42%), H (0.53%), Br (42.27%), N (14.82%), S (16.96%)

Molar Mass: 189.03

Atom Count: 9

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.904382
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HTVHRNHOLJNKNO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.24
Topological Polar Surface Area	36.68
Polarizability	13.16
Ring Count	1
Rotatable Bond Count	0

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