2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid

Base Information

• Chemical Name: 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid
• CAS No.: 87-37-6
• Molecular Formula: C20H22N4O7S
• Molecular Weight: 462.4763
• DSSTox Substance ID: DTXSID90408753
• NSC Number: 159727
• Mol file: 87-37-6.mol

Synonyms:NSC159727;87-37-6;DTXSID90408753;NSC-159727

Chemical Property of 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.5g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 462.12092023
• Heavy Atom Count: 32
• Complexity: 834

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)NC(=S)N1)CCC(=O)NC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O