2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole

3-[5-(3-amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitroaniline

Also Known As: 2,4,6-trinitrophenyl)-1,3,4-thiadiazole|NCI60_027095|2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole|3,3'-(1,3,4-Thiadiazole-2,5-diyl)bis(2,4,6-trinitroaniline)|3-[5-(3-amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitroaniline|2,5-Bis(3-amino-2,4,6-tris(hydroxy(oxido)amino)phenyl)-1,3,4-thiadiazole|Benzenamine, 3,3'-(1,3,4-thiadiazole-2,5-diyl)bis[2,4,6-trinitro-|3-[5-(3-amino-2,4,6-trinitro-phenyl)-1,3,4-thiadiazol-2-yl]-2,4,6-trinitro-aniline

Molecular Formula	C14H6N10O12S
Molecular Weight	537.9887 g/mol
LogP	2.4
Topological Polar Surface Area	381.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	17
Rotatable Bonds	2
Exact Mass	537.9887
Monoisotopic Mass	537.9887
Heavy Atoms	37
Complexity	895.0

Chemical Identifiers

CAS Number	65992-13-4
SMILES	C1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C2=NN=C(S2)C3=C(C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-]
InChIKey	ZQBFPTNBHLNCEN-UHFFFAOYSA-N