Ditiomustine

Base Information

• Chemical Name: Ditiomustine
• CAS No.: 82599-22-2
• Molecular Formula: C10H18Cl2N6O4S2
• Molecular Weight: 421.328
• UNII: 810O95170J
• DSSTox Substance ID: DTXSID80868665
• Nikkaji Number: J60.491G,J22.180E
• Wikidata: Q27269186
• NCI Thesaurus Code: C65443
• ChEMBL ID: CHEMBL50262
• Mol file: 82599-22-2.mol

Synonyms:BCNCC;CNCC;N,N'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine

Chemical Property of Ditiomustine

Chemical Property:

• PSA: 181.12000
• Density: 1.55g/cm³
• LogP: 2.64020
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 420.0208008
• Heavy Atom Count: 24
• Complexity: 374

Purity/Quality:

95-99% ^*data from raw suppliers

DITIOMUSTINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CSSCCNC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O