5-[(3-Methoxyphenyl)amino]-1,3,4-thiadiazole-2-thiol

Base Information

Chemical Name:5-[(3-Methoxyphenyl)amino]-1,3,4-thiadiazole-2-thiol
CAS No.:68161-58-0
Molecular Formula:C9H9 N3 O S2
Molecular Weight:239.322
Hs Code.:2934999090
DSSTox Substance ID:DTXSID10351757
Wikidata:Q82128435
ChEMBL ID:CHEMBL1344163
Mol file:68161-58-0.mol

Synonyms:68161-58-0;5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazole-2-thiol;5-(3-methoxyanilino)-3H-1,3,4-thiadiazole-2-thione;5-((3-Methoxyphenyl)amino)-1,3,4-thiadiazole-2-thiol;MLS000390599;SMR000259638;Maybridge1_007112;Oprea1_049164;cid_708541;CHEMBL1344163;BDBM44063;HMS561L06;DTXSID10351757;HMS2552I15;AKOS001037627;EN300-10247;5-(m-anisidino)-3H-1,3,4-thiadiazole-2-thione;Z57000618;5-(3-Methoxyanilino)-1,3,4-thiadiazole-2(3H)-thione;5-[(3-methoxyphenyl)amino]-3H-1,3,4-thiadiazole-2-thione

Suppliers and Price of 5-[(3-Methoxyphenyl)amino]-1,3,4-thiadiazole-2-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

American Custom Chemicals Corporation
5-[(3-METHOXYPHENYL)AMINO]-1,3,4-THIADIAZOLE-2-THIOL 95.00%
1G
$ 808.89

American Custom Chemicals Corporation
5-[(3-METHOXYPHENYL)AMINO]-1,3,4-THIADIAZOLE-2-THIOL 95.00%
5G
$ 1421.65

American Custom Chemicals Corporation
5-[(3-METHOXYPHENYL)AMINO]-1,3,4-THIADIAZOLE-2-THIOL 95.00%
2.5G
$ 1147.43

AK Scientific
5-[(3-Methoxyphenyl)amino]-1,3,4-thiadiazole-2-thiol
5g
$ 1103.00

AK Scientific
5-[(3-Methoxyphenyl)amino]-1,3,4-thiadiazole-2-thiol
2.5g
$ 777.00

AK Scientific
5-[(3-Methoxyphenyl)amino]-1,3,4-thiadiazole-2-thiol
250mg
$ 224.00

Total 5 raw suppliers

Chemical Property of 5-[(3-Methoxyphenyl)amino]-1,3,4-thiadiazole-2-thiol

Chemical Property:

Vapor Pressure:3.35E-05mmHg at 25°C
Melting Point:85 °C(Solv: ethanol (64-17-5))
Boiling Point:354.4°Cat760mmHg
PKA:5.70±0.40(Predicted)
Flash Point:168.2°C
PSA：117.31000
Density:1.46g/cm³
LogP:2.00090
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:239.01870427
Heavy Atom Count:15
Complexity:283

Purity/Quality:

98%Min ^*data from raw suppliers

5-[(3-METHOXYPHENYL)AMINO]-1,3,4-THIADIAZOLE-2-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC(=C1)NC2=NNC(=S)S2

Technology Process of 5-[(3-Methoxyphenyl)amino]-1,3,4-thiadiazole-2-thiol

There total 2 articles about 5-[(3-Methoxyphenyl)amino]-1,3,4-thiadiazole-2-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:

: 75-15-0,12122-00-8
carbon disulfide

: 42135-73-9
4-(m-methoxyphenyl)thiosemicarbazide

: 68161-58-0
5-(3-methoxy-anilino)-3H-[1,3,4]thiadiazole-2-thione

Guidance literature:: In ethanol; Heating;

Reference yield:

: 3125-64-2
3-methoxyphenyl isothiocyanate

: 68161-58-0
5-(3-methoxy-anilino)-3H-[1,3,4]thiadiazole-2-thione

Guidance literature:: Multi-step reaction with 2 steps

1: hydrazine hydrate / isopropyl alcohol / 2 h / 25 °C

2: potassium hydroxide / ethanol / 4 h / Reflux

With hydrazine hydrate; potassium hydroxide; In ethanol; isopropyl alcohol;
DOI:10.1080/10426507.2020.1737062

Reference yield: 90.0%

: 68161-58-0
5-(3-methoxy-anilino)-3H-[1,3,4]thiadiazole-2-thione

: 3034-48-8
2-bromo-5-nitro-1,3-thiazole

: 1208264-73-6
N-(3-methoxyphenyl)-5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine

Guidance literature:: 5-(3-methoxy-anilino)-3H-[1,3,4]thiadiazole-2-thione; With methanol; sodium methylate; for 0.0833333h;

2-bromo-5-nitro-1,3-thiazole; In methanol; at 20 ℃; for 16h;
DOI:10.1016/j.bmc.2009.12.013