Ditc-xac

Base Information

• Chemical Name: Ditc-xac
• CAS No.: 119305-41-8
• Molecular Formula: C29H32 N8 O5 S2
• Molecular Weight: 636.74
• DSSTox Substance ID: DTXSID00152412
• Nikkaji Number: J413.032D
• Mol file: 119305-41-8.mol

Synonyms:1,3-dipropyl-8-(isothiocyanatophenyl(aminothiocarbonyl-(2-aminoethylaminocarbonyl-(4-methyloxy(phenyl)))))xanthine;DITC-XAC

Chemical Property of Ditc-xac

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 228.87000
• Density: 1.41g/cm³
• LogP: 5.19020
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 636.19370850
• Heavy Atom Count: 44
• Complexity: 1050

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCNC(=O)SNC4=CC(=CC=C4)N=C=S