5-[(4-Nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Also Known As: NCIOpen2_005724|BAS 00277595|J3.156.886B|5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione|SR-01000360868-1|5-(4-Nitro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione|5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane|5-(4-Nitrobenzylidene)-2-thioxo-2,3-dihydropyrimidine-4,6(1H,5H)-dione|5-[(4-nitrophenyl)methylene]-2-thioxo-1,3-dihydropyrimidine-4,6-dione

Molecular Formula	C11H7N3O4S
Molecular Weight	277.01572 g/mol
LogP	1.4
Topological Polar Surface Area	136.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	277.01572
Monoisotopic Mass	277.01572
Heavy Atoms	19
Complexity	453.0

Chemical Identifiers

CAS Number	27430-12-2
SMILES	C1=CC(=CC=C1C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]
InChIKey	NUXLIUKKUOCVQG-UHFFFAOYSA-N