Glybuthiazol

Base Information

• Chemical Name: Glybuthiazol
• CAS No.: 535-65-9
• Molecular Formula: C12H16N4O2S2
• Molecular Weight: 312.417
• Hs Code.: 2935009090
• European Community (EC) Number: 208-615-8
• NSC Number: 23010
• UNII: 35421N8E8W
• DSSTox Substance ID: DTXSID4057762
• Nikkaji Number: J6.345B
• Wikidata: Q27256420
• NCI Thesaurus Code: C72803
• ChEMBL ID: CHEMBL94087
• Mol file: 535-65-9.mol

Synonyms:Glybuthiazol;GLYBUTHIAZOLE;Glipasol;Glypasol;Glybuthizolum;RP 2259;535-65-9;Glibutiazol;Glybuthiazolum;Glybuthiazol [INN:DCF];Glibutiazol [INN-Spanish];Glybuthiazolum [INN-Latin];2259 RP;p-Aminobenzenesulfamido-tert-butylthiodiazol;EINECS 208-615-8;NSC 23010;NSC-23010;RP-2259;BRN 0033849;2259 R. P.;DTXSID4057762;UNII-35421N8E8W;C12H16N4O2S2;Glybuthiazol (INN);35421N8E8W;N1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)sulfanilamide;N(sup 1)-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)sulfanilamide;2259 R.P.;4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;GLYBUTHIAZOL [INN];Benzenesulfonamide, 4-amino-N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-;Sulfanilamide, N1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-;Sulfanilamide, N(sup 1)-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-;R. P. 2259;Glybuthiazol(e);GLYBUTHIZOL;Glybuthiazol [DCF:INN];GLYBUTHIAZOLE [MI];CHEMBL94087;SCHEMBL282607;DTXCID5031551;CHEBI:135337;NSC23010;Tox21_113930;Sulfanilamide,3,4-thiadiazol-2-yl)-;NCGC00262937-01;2259 R.P;CAS-535-65-9;2259 R. P;LS-147753;D02462;Q27256420;Benzenesulfonamide,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-;4-Amino-N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

Chemical Property of Glybuthiazol

Chemical Property:

• Vapor Pressure: 2.25E-10mmHg at 25°C
• Melting Point: 221-223°
• Refractive Index: 1.6440 (estimate)
• Boiling Point: 506.3°Cat760mmHg
• PKA: 5.52±0.50(Predicted)
• Flash Point: 260°C
• PSA: 134.59000
• Density: 1.398g/cm³
• LogP: 3.95360
• Water Solubility.: 56.86mg/L(37 oC)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 312.07146811
• Heavy Atom Count: 20
• Complexity: 422

Purity/Quality:

98%min ^*data from raw suppliers

GLYBUTHIAZOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N

Technology Process of Glybuthiazol

There total 4 articles about Glybuthiazol 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%

N-(4-(N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)acetamide (432539-49-6) → 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (535-65-9)

Guidance literature:

N-(4-(N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)acetamide; With hydrogenchloride; In water; for 0.5h; Reflux;

With sodium carbonate; In water;

DOI:10.1016/j.bmc.2011.01.049

Reference yield:

2-Amino-5-t-butyl-1,3,4-thiadiazole (39222-73-6) → 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (535-65-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 1 h / 95 °C

2: hydrogenchloride / water / 0.5 h / Reflux

With pyridine; hydrogenchloride; In water;

DOI:10.1016/j.bmc.2011.01.049

Reference yield:

p-acetylaminobenzenesulfonyl chloride (121-60-8) → 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (535-65-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 1 h / 95 °C

2: hydrogenchloride / water / 0.5 h / Reflux

With pyridine; hydrogenchloride; In water;

DOI:10.1016/j.bmc.2011.01.049

upstream raw materials:

2-Amino-5-t-butyl-1,3,4-thiadiazole

p-acetylaminobenzenesulfonyl chloride

N-(4-(N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)acetamide

Downstream raw materials:

N-(4-(N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)decanamide

Refernces

• 1、 -. "SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME". Page/Page column 92. . Retrieved 2009/12/02.