ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate

Base Information

• Chemical Name: ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate
• CAS No.: 87610-71-7
• Molecular Formula: C11H21 N3 O2 S
• Molecular Weight: 259.3683
• NSC Number: 373567
• DSSTox Substance ID: DTXSID70421081

Synonyms:NSC373567;87610-71-7;DTXSID70421081;NSC-373567

Chemical Property of ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate

Chemical Property:

• Vapor Pressure: 1.59E-05mmHg at 25°C
• Boiling Point: 365.2°C at 760 mmHg
• Flash Point: 174.7°C
• Density: 1.14g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 259.13544809
• Heavy Atom Count: 17
• Complexity: 292

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(=NNC(=S)N)C)C(=O)OCC
• Isomeric SMILES: CCCCC(/C(=N\NC(=S)N)/C)C(=O)OCC

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