1-octyl-5-mercapto-1H-tetrazole

Base Information

• Chemical Name: 1-octyl-5-mercapto-1H-tetrazole
• CAS No.: 70253-99-5
• Molecular Formula: C9H18N4S
• Molecular Weight: 214.33
• DSSTox Substance ID: DTXSID80595045
• Wikidata: Q82489979
• Mol file: 70253-99-5.mol

Synonyms:1-octyl-5-mercapto-1H-tetrazole;70253-99-5;1-octyl-2H-tetrazole-5-thione;1-octyl-1H-tetrazole-5-thiol;SCHEMBL6241128;DTXSID80595045;AKOS017547902;1-Octyl-1,2-dihydro-5H-tetrazole-5-thione;NS00077705

Chemical Property of 1-octyl-5-mercapto-1H-tetrazole

Chemical Property:

• Vapor Pressure: 0.000179mmHg at 25°C
• Boiling Point: 329.3°C at 760 mmHg
• Flash Point: 153°C
• PSA: 82.40000
• Density: 1.17g/cm³
• LogP: 2.32230
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 214.12521776
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

98% ^*data from raw suppliers

1-OCTYL-5-MERCAPTO-1H-TETRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN1C(=S)N=NN1