4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-phenyl-5-(2-propenylthio)-

Base Information

Chemical Name:4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-phenyl-5-(2-propenylthio)-
CAS No.:81518-31-2
Molecular Formula:C₁₇H₁₄ClN₃S
Molecular Weight:327.837
Hs Code.:
DSSTox Substance ID:DTXSID00231175
Wikidata:Q83112014
Mol file:81518-31-2.mol

Synonyms:81518-31-2;BRN 5089081;4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-phenyl-5-(2-propenylthio)-;3-(2-Chlorophenyl)-4-phenyl-5-(2-propenylthio)-4H-1,2,4-triazole;3-(Allylthio)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole;C17H14ClN3S;DTXSID00231175;LS-155903

Suppliers and Price of 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-phenyl-5-(2-propenylthio)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3-(2-CHLOROPHENYL)-4-PHENYL-5-(2-PROPENYLTHIO)-4H-1,2,4-TRIAZOLE 95.00%
5MG
$ 501.34

Total 3 raw suppliers

Chemical Property of 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-phenyl-5-(2-propenylthio)-

Chemical Property:

Vapor Pressure:2.46E-10mmHg at 25°C
Boiling Point:505.3°C at 760 mmHg
Flash Point:259.4°C
PSA：56.01000
Density:1.24g/cm³
LogP:4.86580
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:327.0596963
Heavy Atom Count:22
Complexity:362

Purity/Quality:: 3-(2-CHLOROPHENYL)-4-PHENYL-5-(2-PROPENYLTHIO)-4H-1,2,4-TRIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3Cl

Technology Process of 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-phenyl-5-(2-propenylthio)-

There total 2 articles about 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-phenyl-5-(2-propenylthio)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.43%

: 23711-34-4
5-(2-chloro-phenyl)-4-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione

: 81518-31-2
3-Allylsulfanyl-5-(2-chloro-phenyl)-4-phenyl-4H-[1,2,4]triazole

Guidance literature:: With pyridine; for 6h; Heating;

Reference yield:

: 26036-04-4
1-(o-chlorobenzoyl)-4-phenyl-3-thiosemicarbazide

: 81518-31-2
3-Allylsulfanyl-5-(2-chloro-phenyl)-4-phenyl-4H-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / aq. NaOH / 3 h / Heating

2: 75.43 percent / pyridine / 6 h / Heating

With pyridine; In sodium hydroxide;