3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione

Base Information

• Chemical Name: 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione
• CAS No.: 90657-90-2
• Molecular Formula: C14H16ClN3S
• Molecular Weight: 293.81500
• DSSTox Substance ID: DTXSID80351300
• Wikidata: Q82127613
• Mol file: 90657-90-2.mol

Synonyms:90657-90-2;3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione;5-(3-chlorophenyl)-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;ST4042421;Oprea1_551073;DTXSID80351300;STK759122;AKOS001737179;SR-01000522108;SR-01000522108-1

Chemical Property of 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione

Chemical Property:

• PSA: 69.51000
• LogP: 4.39240
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 293.0753464
• Heavy Atom Count: 19
• Complexity: 379

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2C(=NNC2=S)C3=CC(=CC=C3)Cl

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