5-hydroxy-1,3-benzothiazole-2-carbonitrile

5-hydroxy-1,3-benzothiazole-2-carbonitrile

CAS: 7267-38-1

Formula: C8H4N2OS

SMILES: OC1=CC=C2SC(=NC2=C1)C#N

IUPAC: 5-hydroxy-1,3-benzothiazole-2-carbonitrile

InChI: InChI=1S/C8H4N2OS/c9-4-8-10-6-3-5(11)1-2-7(6)12-8/h1-3,11H

Composition: C (54.54%), H (2.29%), N (15.90%), O (9.08%), S (18.20%)

Molar Mass: 176.19

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	176.004433931
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DTXINWSDUBHXMK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.31
Topological Polar Surface Area	56.91
Polarizability	18.08
Ring Count	2
Rotatable Bond Count	0

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