5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Base Information

• Chemical Name: 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• CAS No.: 81863-77-6
• Molecular Formula: C16H14ClN3OS2
• Molecular Weight: 363.8849
• NSC Number: 369117
• DSSTox Substance ID: DTXSID20231415

Synonyms:81863-77-6;5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;NSC369117;MLS003171249;NSC 369117;3-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione;3-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione;DTXSID20231415;NSC-369117;SMR001875153

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

Chemical Property:

• Vapor Pressure: 7.64E-10mmHg at 25°C
• Boiling Point: 492.5°C at 760 mmHg
• Flash Point: 251.7°C
• Density: 1.38g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 363.0266821
• Heavy Atom Count: 23
• Complexity: 447

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2C(=NNC2=S)CSC3=CC=C(C=C3)Cl

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