6-amino-1,3-benzothiazole-2-carbonitrile

6-amino-1,3-benzothiazole-2-carbonitrile

CAS: 7724-12-1

Formula: C8H5N3S

SMILES: NC1=CC=C2N=C(SC2=C1)C#N

IUPAC: 6-amino-1,3-benzothiazole-2-carbonitrile

InChI: InChI=1S/C8H5N3S/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,10H2

Composition: C (54.84%), H (2.88%), N (23.98%), S (18.30%)

Molar Mass: 175.21

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	175.020418347
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZOHSEULTWOYIMS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.03
Topological Polar Surface Area	62.7
Polarizability	18.6
Ring Count	2
Rotatable Bond Count	0

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