5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine

5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine

CAS: 833-63-6

Formula: C8H6N4O2S

SMILES: NC1=NN=C(S1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine

InChI: InChI=1S/C8H6N4O2S/c9-8-11-10-7(15-8)5-1-3-6(4-2-5)12(13)14/h1-4H,(H2,9,11)

Composition: C (43.24%), H (2.72%), N (25.21%), O (14.40%), S (14.43%)

Molar Mass: 222.22

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	222.021146623
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	XAPNDVNSXWXPJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.98
Topological Polar Surface Area	94.94
Polarizability	20.6
Ring Count	2
Rotatable Bond Count	2

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