RefChem:412936

dimethyl 5-(5-sulfanylidene-2H-tetrazol-1-yl)benzene-1,3-dicarboxylate

Also Known As: Dimethyl 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)isophthalate|1-(3,5-Bis(methoxycarbonyl)phenyl)-5-mercapto-1H-tetrazole|1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-, dimethyl ester|1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-, 1,3-dimethyl ester|Dimethyl 5-(5-sulfanyl-1H-tetrazol-1-yl)benzene-1,3-dicarboxylate|dimethyl 5-(5-sulfanylidene-2H-tetrazol-1-yl)benzene-1,3-dicarboxylate|5-[(2,5-Dihydro-5-thioxo-1H-tetrazol)-1-yl]-1,3-benzenedicarboxylic acid dimethyl ester|1,3-dimethyl 5-(5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)benzene-1,3-dicarboxylate

Molecular Formula	C11H10N4O4S
Molecular Weight	294.04227 g/mol
LogP	0.89809
Topological Polar Surface Area	99.1 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	294.04227
Monoisotopic Mass	294.04227
Heavy Atoms	20
Complexity	686.9584

Chemical Identifiers

CAS Number	72076-51-8
SMILES	COC(=O)C1=CC(=CC(=C1)N2C(=S)N=NN2)C(=O)OC