1,3-Dimethyl-8-(pentylthio)-7H-purine-2,6(1H,3H)-dithione

Base Information

• Chemical Name: 1,3-Dimethyl-8-(pentylthio)-7H-purine-2,6(1H,3H)-dithione
• CAS No.: 6466-21-3
• Molecular Formula: C12H18 N4 S3
• Molecular Weight: 343.4002
• NSC Number: 95893
• DSSTox Substance ID: DTXSID50983273
• Nikkaji Number: J3.070.533E
• Wikidata: Q82970193

Synonyms:6466-21-3;NSC95893;DTXSID50983273;NSC-95893;1,3-Dimethyl-8-(pentylthio)-7H-purine-2,6(1H,3H)-dithione;1,3-Dimethyl-8-(pentylsulfanyl)-3,9-dihydro-1H-purine-2,6-dithione

Chemical Property of 1,3-Dimethyl-8-(pentylthio)-7H-purine-2,6(1H,3H)-dithione

Chemical Property:

• Vapor Pressure: 6.86E-10mmHg at 25°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.324g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 314.06936011
• Heavy Atom Count: 19
• Complexity: 363

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCSC1=NC2=C(N1)C(=S)N(C(=S)N2C)C

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