3-Methylbutanoic acid-benzyl carbamimidothioate(1:1)

Base Information

• Chemical Name: 3-Methylbutanoic acid-benzyl carbamimidothioate(1:1)
• CAS No.: 2412-36-4
• Molecular Formula: C13H20N2O2S
• Molecular Weight: 268.3751
• NSC Number: 38890
• DSSTox Substance ID: DTXSID70284774

Synonyms:2412-36-4;3-methylbutanoic acid- benzyl carbamimidothioate(1:1);NSC38890;DTXSID70284774;NSC-38890

Chemical Property of 3-Methylbutanoic acid-benzyl carbamimidothioate(1:1)

Chemical Property:

• Vapor Pressure: 0.0032mmHg at 25°C
• Boiling Point: 283.2°C at 760 mmHg
• Flash Point: 125.1°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 268.12454906
• Heavy Atom Count: 18
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)O.C1=CC=C(C=C1)CSC(=N)N

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