5-nitro-1,3-benzoxazole-2-thiol

5-nitro-1,3-benzoxazole-2-thiol

CAS: 22876-21-7

Formula: C7H4N2O3S

SMILES: [O-][N+](=O)C1=CC=C2OC(S)=NC2=C1

IUPAC: 5-nitro-1,3-benzoxazole-2-thiol

InChI: InChI=1S/C7H4N2O3S/c10-9(11)4-1-2-6-5(3-4)8-7(13)12-6/h1-3H,(H,8,13)

Composition: C (42.86%), H (2.06%), N (14.28%), O (24.47%), S (16.34%)

Molar Mass: 196.18

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	195.994263171
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FQOGSTGLRLMQOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.53
Topological Polar Surface Area	69.17
Polarizability	18.81
Ring Count	2
Rotatable Bond Count	1

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95%	<2 Days	22876-21-7		$51.35-$120.18$51.35$63.37$75.38$86.31$120.18