1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylideneamino]-3-methylthiourea

Base Information

• Chemical Name: 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylideneamino]-3-methylthiourea
• CAS No.: 18162-05-5
• Molecular Formula: C13H18ClFN4S
• Molecular Weight: 316.8252
• NSC Number: 98665
• DSSTox Substance ID: DTXSID80421673
• Mol file: 18162-05-5.mol

Synonyms:NSC98665;18162-05-5;DTXSID80421673;NSC-98665

Chemical Property of 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylideneamino]-3-methylthiourea

Chemical Property:

• Vapor Pressure: 5.57E-08mmHg at 25°C
• Boiling Point: 441.1°C at 760 mmHg
• Flash Point: 220.6°C
• Density: 1.22g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 316.0924736
• Heavy Atom Count: 20
• Complexity: 309

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)NN=CC1=CC=C(C=C1)N(CCF)CCCl
• Isomeric SMILES: CNC(=S)N/N=C/C1=CC=C(C=C1)N(CCF)CCCl