5-(Cyclohexylsulfanyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Base Information

• Chemical Name: 5-(Cyclohexylsulfanyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• CAS No.: 98329-79-4
• Molecular Formula: C9H15N3S2
• DSSTox Substance ID: DTXSID20604483
• Wikidata: Q82502450

Synonyms:98329-79-4;SCHEMBL10708052;DTXSID20604483;5-(Cyclohexylsulfanyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property of 5-(Cyclohexylsulfanyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.07073984
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=S)NN=C1SC2CCCCC2

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