1-(2-Cyanoethyl)-1-methylthiourea

Base Information

• Chemical Name: 1-(2-Cyanoethyl)-1-methylthiourea
• CAS No.: 686-57-7
• Molecular Formula: C5H9 N3 S
• Molecular Weight: 143.21
• Hs Code.: 2930909090
• UNII: 5HDD9X9XPD
• DSSTox Substance ID: DTXSID50401604
• NSC Number: 55977
• Mol file: 686-57-7.mol

Synonyms:1-(2-cyanoethyl)-1-methylthiourea;686-57-7;NSC-55977;NSC55977;5HDD9X9XPD;DTXSID50401604;N-(2-Cyanoethyl)-N-methylthiourea;AKOS000208027;Thiourea, N-(2-cyanoethyl)-N-methyl-;Urea, 1-(2-cyanoethyl)-1-methyl-2-thio-

Chemical Property of 1-(2-Cyanoethyl)-1-methylthiourea

Chemical Property:

• Vapor Pressure: 0.0024mmHg at 25°C
• Boiling Point: 288°C at 760 mmHg
• Flash Point: 128°C
• PSA: 85.14000
• Density: 1.189g/cm³
• LogP: 0.77578
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 143.05171847
• Heavy Atom Count: 9
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCC#N)C(=S)N