5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 5948-97-0
• Molecular Formula: C9H8ClN3S
• Molecular Weight: 225.6979
• DSSTox Substance ID: DTXSID50974883
• Wikidata: Q82959345
• Mol file: 5948-97-0.mol

Synonyms:5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol;345972-04-5;3-(3-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione;3-(3-chlorophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione;5-(3-chlorophenyl)-4-methyl-1,2,4-triazole-3-thiol;5-(3-chlorophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;5948-97-0;CBMicro_008842;SCHEMBL1544701;DTXSID50974883;SMSF0010486;BBL015083;MFCD01809833;STK149468;AKOS000268526;AKOS000348580;AT31264;CB11541;VS-04836;BIM-0008740.P001;CS-0308186;EN300-110557;AK-105/12232148;SR-01000224135;SR-01000224135-1;5-(3-chlorophenyl)-4-methyl-4H-[1,2,4]triazole-3-thiol

Chemical Property of 5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 0.000637mmHg at 25°C
• Boiling Point: 309.5°C at 760 mmHg
• Flash Point: 141°C
• Density: 1.43g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 225.0127461
• Heavy Atom Count: 14
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C(=NNC1=S)C2=CC(=CC=C2)Cl