9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-

Base Information

• Chemical Name: 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-
• CAS No.: 299-12-7
• Molecular Formula: C14H12 Cl2 N4 S
• Molecular Weight: 339.2429
• NSC Number: 58906
• DSSTox Substance ID: DTXSID60289076
• Wikidata: Q82026236
• ChEMBL ID: CHEMBL1723055
• Mol file: 299-12-7.mol

Synonyms:BC 77;299-12-7;MLS002693201;9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-;HMS3080H04;NCIOpen2_007775;CHEMBL1723055;DTXSID60289076;NSC58906;NSC-58906;SMR001559162;6-((2-Chlorobenzyl)thio)-9-(2-chloroethyl)-9H-purine;9H-Purine, 6-[(o-chlorobenzyl)thio]-9-(2-chloroethyl)-;9H-Purine, 9-(2-chloroethyl)-6-[[(2-chlorophenyl)methyl]thio]-

Chemical Property of 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-

Chemical Property:

• Vapor Pressure: 5.15E-11mmHg at 25°C
• Boiling Point: 522.5°Cat760mmHg
• Flash Point: 269.8°C
• Density: 1.47g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 338.0159730
• Heavy Atom Count: 21
• Complexity: 336

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CSC2=NC=NC3=C2N=CN3CCCl)Cl