4-{[5-(4-Nitrobenzene-1-sulfonyl)-1,3,4-thiadiazol-2-yl]amino}-4-sulfanylidenebutanoic acid

Base Information

• Chemical Name: 4-{[5-(4-Nitrobenzene-1-sulfonyl)-1,3,4-thiadiazol-2-yl]amino}-4-sulfanylidenebutanoic acid
• CAS No.: 6969-59-1
• Molecular Formula: C12H10 N4 O6 S3
• Molecular Weight: 402.426
• NSC Number: 68433
• DSSTox Substance ID: DTXSID70398284

Synonyms:6969-59-1;4-((5-((4-Nitrophenyl)sulfonyl)-1,3,4-thiadiazol-2-yl)amino)-4-thioxobutanoic acid;NSC68433;DTXSID70398284;NSC-68433;4-{[5-(4-Nitrobenzene-1-sulfonyl)-1,3,4-thiadiazol-2-yl]amino}-4-sulfanylidenebutanoic acid

Chemical Property of 4-{[5-(4-Nitrobenzene-1-sulfonyl)-1,3,4-thiadiazol-2-yl]amino}-4-sulfanylidenebutanoic acid

Chemical Property:

• Vapor Pressure: 4.08E-19mmHg at 25°C
• Boiling Point: 674.5°Cat760mmHg
• Flash Point: 361.7°C
• Density: 1.718g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 401.97624757
• Heavy Atom Count: 25
• Complexity: 624

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=NN=C(S2)NC(=S)CCC(=O)O

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