5-Octylthio-1,3,4-thiadiazole-2-thiol

Base Information

• Chemical Name: 5-Octylthio-1,3,4-thiadiazole-2-thiol
• CAS No.: 4858-29-1
• Molecular Formula: C10H18N2S3
• Molecular Weight: 262.464
• European Community (EC) Number: 955-893-8
• DSSTox Substance ID: DTXSID40401416
• Nikkaji Number: J284.324B
• Wikidata: Q82204515
• Mol file: 4858-29-1.mol

Synonyms:4858-29-1;5-octylthio-1,3,4-thiadiazole-2-thiol;5-(Octylthio)-1,3,4-thiadiazole-2-thiol;5-(Octylsulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione;5-octylsulfanyl-3H-1,3,4-thiadiazole-2-thione;SBB059740;SCHEMBL10709713;DTXSID40401416;AKOS024389757;FT-0620734;5-octylsulfanyl-3H-[1,3,4]thiadiazole-2-thione;5-(octylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione

Chemical Property of 5-Octylthio-1,3,4-thiadiazole-2-thiol

Chemical Property:

• Vapor Pressure: 4.51E-05mmHg at 25°C
• Melting Point: 77-79 °C(Solv: hexane (110-54-3))
• Boiling Point: 350.1oC at 760 mmHg
• PKA: 5.43±0.40(Predicted)
• Flash Point: 165.5oC
• PSA: 118.12000
• Density: 1.24g/cm3
• LogP: 4.27940
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 262.06321210
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

5-OCTYLTHIO-1,3,4-THIADIAZOLE-2-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCSC1=NNC(=S)S1

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