5-(2-Bromo-phenyl)-4H-[1,2,4]triazole-3-thiol

Base Information

Chemical Name:5-(2-Bromo-phenyl)-4H-[1,2,4]triazole-3-thiol
CAS No.:39751-84-3
Molecular Formula:C8H6BrN3S
Molecular Weight:256.126
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90356149
Wikidata:Q82135352
Pharos Ligand ID:MJ2MTCBNBTAR
ChEMBL ID:CHEMBL1447470
Mol file:39751-84-3.mol

Synonyms:5-(2-Bromo-phenyl)-4H-[1,2,4]triazole-3-thiol;39751-84-3;5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol;5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione;CHEMBL1447470;MLS-0085496.0001;5-(2-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;MLS000526180;cid_820004;SCHEMBL10100721;BDBM46605;DTXSID90356149;HMS2500A09;KUC104347N;BDBM50569308;KSC-10-48;MFCD00617773;STK744332;AKOS000295717;AKOS000348033;AKOS023384959;SMR000116654;CS-0269550;EN300-06054;5-(2-bromophenyl)-1H-1,2,4-triazole-3-thiol;AB00084170-01;AG-690/36333028;Z221604424

Suppliers and Price of 5-(2-Bromo-phenyl)-4H-[1,2,4]triazole-3-thiol

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

Crysdot
5-(2-Bromophenyl)-4H-1,2,4-triazole-3-thiol 97%
5g
$ 564.00

American Custom Chemicals Corporation
5-(2-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL 95.00%
5G
$ 1114.58

AK Scientific
5-(2-Bromo-phenyl)-4H-[1,2,4]triazole-3-thiol
100mg
$ 139.00

Total 6 raw suppliers

Chemical Property of 5-(2-Bromo-phenyl)-4H-[1,2,4]triazole-3-thiol

Chemical Property:

Vapor Pressure:0.000228mmHg at 25°C
Boiling Point:325.6°Cat760mmHg
Flash Point:150.7°C
PSA：80.37000
Density:1.83g/cm³
LogP:2.52290
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:254.94658
Heavy Atom Count:13
Complexity:254

Purity/Quality:

98%+ ^*data from raw suppliers

5-(2-Bromophenyl)-4H-1,2,4-triazole-3-thiol 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C2=NC(=S)NN2)Br

Technology Process of 5-(2-Bromo-phenyl)-4H-[1,2,4]triazole-3-thiol

There total 6 articles about 5-(2-Bromo-phenyl)-4H-[1,2,4]triazole-3-thiol 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: 73.0%

: 39631-31-7
N¹-(o-bromobenzoyl)-3-thiosemicarbazide

: 39751-84-3
5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol

Guidance literature:: With sodium hydroxide; In water; at 100 ℃; for 4h;
DOI:10.1016/j.ejmech.2021.113326

Reference yield:

: 79-19-6
thiosemicarbazide

: 7154-66-7
2-bromobenzoic acid chloride

: C₈H₆BrN₃S

: 39751-84-3
5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol

Guidance literature:: thiosemicarbazide; 2-bromobenzoic acid chloride; With pyridine; at 20 ℃; for 16h;

With water; sodium hydroxide; at 100 ℃; for 3h; Further stages;

Reference yield:

: 29418-67-5
2-bromobenzohydrazide

: 39751-84-3
5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol

Guidance literature:: Multi-step reaction with 2 steps

1: 65.7 percent / conc. HCl / H₂O / 3 h / Heating

2: 70 percent / 8 percent aq. KOH / Heating

With hydrogenchloride; potassium hydroxide; In water;