2-chloro-7H-purine-8(9H)-thione

Base Information

• Chemical Name: 2-chloro-7H-purine-8(9H)-thione
• CAS No.: 89364-07-8
• Molecular Formula: C5H3 Cl N4 S
• Molecular Weight: 186.6221
• NSC Number: 33190
• DSSTox Substance ID: DTXSID00417937
• ChEMBL ID: CHEMBL1698699

Synonyms:2-chloro-7H-purine-8(9H)-thione;MLS002639465;89364-07-8;NSC33190;2-chloro-7,9-dihydropurine-8-thione;2-chloro-7H-purine-8-thiol;CHEMBL1698699;SCHEMBL15570683;DTXSID00417937;LDDARWDXQJUVNV-UHFFFAOYSA-N;HMS3091A07;NSC-33190;AKOS006273127;SMR001548909;BB 0262468

Chemical Property of 2-chloro-7H-purine-8(9H)-thione

Chemical Property:

• Vapor Pressure: 4.26E-07mmHg at 25°C
• Boiling Point: 415°C at 760 mmHg
• Flash Point: 204.8°C
• Density: 1.77g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 185.9766950
• Heavy Atom Count: 11
• Complexity: 187

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=NC(=N1)Cl)NC(=S)N2

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