3-Phenyl-1,2,4-oxadiazole-5-thiol

Base Information

Chemical Name:3-Phenyl-1,2,4-oxadiazole-5-thiol
CAS No.:23152-97-8
Molecular Formula:C8H6 N2 O S
Molecular Weight:178.21
Hs Code.:2934999090
DSSTox Substance ID:DTXSID00390892
Nikkaji Number:J2.421.380C
Wikidata:Q82188009
Mol file:23152-97-8.mol

Synonyms:3-phenyl-1,2,4-oxadiazole-5-thiol;23152-97-8;3-phenyl-2H-1,2,4-oxadiazole-5-thione;SCHEMBL3115626;DTXSID00390892;KLUJJBZDBBYZEJ-UHFFFAOYSA-N;MFCD00192392;STL451528;AKOS005174583;AKOS024015224;5-mercapto-3-phenyl-1,2,4-oxadiazole;LS-04715;3-phenyl-1,2,4-oxadiazole-5(2H)-thione;EN300-35596;3-Phenyl-4,5-dihydro-1,2,4-oxadiazole-5-thione;A918607

Suppliers and Price of 3-Phenyl-1,2,4-oxadiazole-5-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

Matrix Scientific
3-Phenyl-1,2,4-oxadiazole-5-thiol
500mg
$ 315.00

Crysdot
3-phenyl-1,2,4-oxadiazole-5-thiol 95+%
1g
$ 320.00

Crysdot
3-phenyl-1,2,4-oxadiazole-5-thiol 95+%
5g
$ 904.00

American Custom Chemicals Corporation
3-PHENYL-1,2,4-OXADIAZOLE-5-THIOL 95.00%
5G
$ 1379.44

American Custom Chemicals Corporation
3-PHENYL-1,2,4-OXADIAZOLE-5-THIOL 95.00%
2.5G
$ 1119.71

American Custom Chemicals Corporation
3-PHENYL-1,2,4-OXADIAZOLE-5-THIOL 95.00%
1G
$ 794.34

Total 5 raw suppliers

Chemical Property of 3-Phenyl-1,2,4-oxadiazole-5-thiol

Chemical Property:

Melting Point:152-154 °C
Boiling Point:247.1±23.0 °C(Predicted)
PKA:5.51±0.20(Predicted)
PSA：77.72000
Density:1.38±0.1 g/cm3(Predicted)
LogP:2.02530
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:178.02008399
Heavy Atom Count:12
Complexity:221

Purity/Quality:

97% ^*data from raw suppliers

3-Phenyl-1,2,4-oxadiazole-5-thiol ^*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)ON2

Technology Process of 3-Phenyl-1,2,4-oxadiazole-5-thiol

There total 7 articles about 3-Phenyl-1,2,4-oxadiazole-5-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: 74.0%

: 613-92-3
N-hydroxyl-benzamidine

: 6160-65-2
1,1'-Thiocarbonyldiimidazole

: 23152-97-8
3-phenyl-4H-[1,2,4]oxadiazol-5-thione

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; at 110 ℃;
DOI:10.1016/j.tetlet.2006.12.050

Reference yield:

: 100-47-0
benzonitrile

: 23152-97-8
3-phenyl-4H-[1,2,4]oxadiazol-5-thione

Guidance literature:: Multi-step reaction with 2 steps

1: 76 percent / hydroxylamine hydrochloride; diisopropylethylamine / ethanol / 80 °C

2: 74 percent / 1,8-diazabicyclo[5.4.0]undec-7-en / dioxane / 110 °C

With hydroxylamine hydrochloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; ethanol;
DOI:10.1016/j.tetlet.2006.12.050

Reference yield:

: 54752-10-2
O-(ethoxycarbonyl)benzohydroxamamide

: 23152-97-8
3-phenyl-4H-[1,2,4]oxadiazol-5-thione

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / 1,3-dithia-2,4-diphosphetane-2,4-dimethylsulfanyl-2,4-disulfide / toluene / 1.5 h / 80 °C

2: 3 percent NaOH / 0.5 h / 60 - 80 °C

With sodium hydroxide; 2,4-bis(methylthio)-1,3-dithia-2,4-diphosphetane-2,4-disulfide; In toluene;