1-[4-(2-Hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one

Base Information

• Chemical Name: 1-[4-(2-Hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
• CAS No.: 5118-42-3
• Molecular Formula: C13H13N3O4S
• Molecular Weight: 307.325
• DSSTox Substance ID: DTXSID60385204
• ChEMBL ID: CHEMBL1872585
• Mol file: 5118-42-3.mol

Synonyms:5118-42-3;CBMicro_005065;HMS2764D21;CHEMBL1872585;DTXSID60385204;SMSF0003495;STL325803;AKOS000987429;AKOS022097165;CB07081;1-[4-(2-Hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one;BIM-0004980.P001;SR-01000196172;SR-01000196172-1;Z56754036;1-[4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone

Chemical Property of 1-[4-(2-Hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one

Chemical Property:

• Vapor Pressure: 1.23E-08mmHg at 25°C
• Boiling Point: 447.8°Cat760mmHg
• Flash Point: 224.6°C
• Density: 1.49g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 307.06267708
• Heavy Atom Count: 21
• Complexity: 514

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)C