1-[2-(Ethoxycarbonyl)-1-methylbutylidene]thiosemicarbazide

Base Information

• Chemical Name: 1-[2-(Ethoxycarbonyl)-1-methylbutylidene]thiosemicarbazide
• CAS No.: 87610-70-6
• Molecular Formula: C9H17N3O2S
• Molecular Weight: 231.3152
• NSC Number: 373569
• DSSTox Substance ID: DTXSID90421225
• Nikkaji Number: J2.266.894C

Synonyms:NSC373569;87610-70-6;DTXSID90421225;NSC-373569;1-[2-(Ethoxycarbonyl)-1-methylbutylidene]thiosemicarbazide

Chemical Property of 1-[2-(Ethoxycarbonyl)-1-methylbutylidene]thiosemicarbazide

Chemical Property:

• Vapor Pressure: 0.000117mmHg at 25°C
• Boiling Point: 335.8°Cat760mmHg
• Flash Point: 156.9°C
• Density: 1.19g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 231.10414797
• Heavy Atom Count: 15
• Complexity: 266

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

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