3H-1,2,4-Triazole-3-thione, 5-heptyl-1,2-dihydro-

Base Information

• Chemical Name: 3H-1,2,4-Triazole-3-thione, 5-heptyl-1,2-dihydro-
• CAS No.: 7271-49-0
• Molecular Formula: C9H17N3S
• Molecular Weight: 199.3164
• European Community (EC) Number: 230-690-0
• DSSTox Substance ID: DTXSID0073378
• Nikkaji Number: J212.275H
• Mol file: 7271-49-0.mol

Synonyms:7271-49-0;5-Heptyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;EINECS 230-690-0;2,4-Dihydro-5-heptyl-3H-1,2,4-triazole-3-thione;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl-;3H-1,2,4-Triazole-3-thione, 5-heptyl-1,2-dihydro-;3H-1,2,4-Triazole-3-thione, 5-heptyl-2,4-dihydro-;delta(2)-1,2,4-Triazoline-5-thione, 3-heptyl-;C9H17N3S;DTXSID0073378;SCHEMBL10715174;LS-156211

Chemical Property of 3H-1,2,4-Triazole-3-thione, 5-heptyl-1,2-dihydro-

Chemical Property:

• Vapor Pressure: 0.00958mmHg at 25°C
• Boiling Point: 264.7°Cat760mmHg
• Flash Point: 113.9°C
• PSA: 80.37000
• Density: 1.16g/cm³
• LogP: 2.60630
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 199.11431873
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

2,4-DIHYDRO-5-HEPTYL-3H-1,2,4-TRIAZOLE-3-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=NC(=S)NN1

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