6-bromo-2-sulfanyl-1,3-benzothiazole-5-carbonitrile

6-bromo-2-sulfanyl-1,3-benzothiazole-5-carbonitrile

CAS: 1242336-64-6

Formula: C8H3BrN2S2

SMILES: SC1=NC2=CC(C#N)=C(Br)C=C2S1

IUPAC: 6-bromo-2-sulfanyl-1,3-benzothiazole-5-carbonitrile

InChI: InChI=1S/C8H3BrN2S2/c9-5-2-7-6(1-4(5)3-10)11-8(12)13-7/h1-2H,(H,11,12)

Composition: C (35.44%), H (1.12%), Br (29.47%), N (10.33%), S (23.65%)

Molar Mass: 271.15

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	269.892103
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PXRUSVYIVKWKOL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.96
Topological Polar Surface Area	36.68
Polarizability	23.33
Ring Count	2
Rotatable Bond Count	0

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