3-(Carboxymethyl)-5-(p-di(2-chloroethyl)aminobenzylidene)rhodanine ammonium salt

Base Information

• Chemical Name: 3-(Carboxymethyl)-5-(p-di(2-chloroethyl)aminobenzylidene)rhodanine ammonium salt
• CAS No.: 101018-65-9
• Molecular Formula: C16H16 Cl2 N2 O3 S2 . H3 N
• Molecular Weight: 436.3764
• Mol file: 101018-65-9.mol

Synonyms:3-(Carboxymethyl)-5-(p-di(2-chloroethyl)aminobenzylidene)rhodanine ammonium salt;3-Thiazolidineacetic acid, 5-((4-(bis(2-chloroethyl)amino)phenyl)methylene)-4-oxo-2-thioxo-, ammonium salt;101018-65-9;C16H16Cl2N2O3S2.H3N;LS-151055;C16-H16-Cl2-N2-O3-S2.H3-N

Chemical Property of 3-(Carboxymethyl)-5-(p-di(2-chloroethyl)aminobenzylidene)rhodanine ammonium salt

Chemical Property:

• Vapor Pressure: 3.25E-16mmHg at 25°C
• Boiling Point: 619.6°Cat760mmHg
• Flash Point: 328.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 435.0244892
• Heavy Atom Count: 26
• Complexity: 540

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CC(=O)[O-])N(CCCl)CCCl.[NH4+]
• Isomeric SMILES: C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CC(=O)[O-])N(CCCl)CCCl.[NH4+]