3-methyl-5-nitro-1,2-benzothiazole

3-methyl-5-nitro-1,2-benzothiazole

CAS: 35272-19-6

Formula: C8H6N2O2S

SMILES: CC1=NSC2=CC=C(C=C12)[N+]([O-])=O

IUPAC: 3-methyl-5-nitro-1,2-benzothiazole

InChI: InChI=1S/C8H6N2O2S/c1-5-7-4-6(10(11)12)2-3-8(7)13-9-5/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	UUOMNUMWKBVHNG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.15
Topological Polar Surface Area	56.03
Polarizability	19.27
Ring Count	2
Rotatable Bond Count	1

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