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

Base Information

• Chemical Name: 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid
• CAS No.: 35960-66-8
• Molecular Formula: C20H25N5O5S
• Molecular Weight: 447.508
• NSC Number: 77029
• DSSTox Substance ID: DTXSID80393644

Synonyms:NSC77029;35960-66-8;DTXSID80393644;NSC-77029

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.45g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 447.15764009
• Heavy Atom Count: 31
• Complexity: 774

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=S)N=C(N1)N)CCCNC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

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