5-nitro-2,1,3-benzothiadiazole

5-nitro-2,1,3-benzothiadiazole

CAS: 16252-88-3

Formula: C6H3N3O2S

SMILES: [O-][N+](=O)C1=CC2=NSN=C2C=C1

IUPAC: 5-nitro-2,1,3-benzothiadiazole

InChI: InChI=1S/C6H3N3O2S/c10-9(11)4-1-2-5-6(3-4)8-12-7-5/h1-3H

Composition: C (39.78%), H (1.67%), N (23.19%), O (17.66%), S (17.70%)

Molar Mass: 181.17

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	180.994597523
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	BXZPSERJJMAPSV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.86
Topological Polar Surface Area	68.92
Polarizability	16.73
Ring Count	2
Rotatable Bond Count	1

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