2-methyl-6-nitro-1,3-benzothiazole

2-methyl-6-nitro-1,3-benzothiazole

CAS: 2941-63-1

Formula: C8H6N2O2S

SMILES: CC1=NC2=CC=C(C=C2S1)[N+]([O-])=O

IUPAC: 2-methyl-6-nitro-1,3-benzothiazole

InChI: InChI=1S/C8H6N2O2S/c1-5-9-7-3-2-6(10(11)12)4-8(7)13-5/h2-4H,1H3

Composition: C (49.48%), H (3.11%), N (14.42%), O (16.48%), S (16.51%)

Molar Mass: 194.21

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	194.014998615
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YAQKYKGFPQPPQE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.89
Topological Polar Surface Area	56.03
Polarizability	19.27
Ring Count	2
Rotatable Bond Count	1

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Life Chemicals USA, Inc.

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Struchem co.,ltd

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Kinentia Biosciences LLC

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