3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine

Base Information

Chemical Name:3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine
CAS No.:90237-03-9
Molecular Formula:C₈H₁₅N₇O₃S₃
Molecular Weight:353.45
Hs Code.:
European Community (EC) Number:641-500-4
UNII:KGG3Y4C7RV
ChEMBL ID:CHEMBL901
Mol file:90237-03-9.mol

Synonyms:90237-03-9;Famotidine sulfoxide;Famotidine S-oxide;3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine;KGG3Y4C7RV;UNII-KGG3Y4C7RV;Propanimidamide, 3-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)sulfinyl)-N-(aminosulfonyl)-;CHEMBL901;AKOS015911113;3-(((2-Guanidinothiazol-4-yl)methyl)sulfinyl)-N-sulfamoylpropanimidamide;3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfinyl]-N'-sulfamoylpropanimidamide

Suppliers and Price of 3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine

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

Medical Isotopes, Inc.
3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidineFamotidineSulfoxide
100 mg
$ 1380.00

Total 13 raw suppliers

Chemical Property of 3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine

Chemical Property:

Melting Point:85-95°C dec.
Boiling Point:676.4±65.0 °C(Predicted)
PKA:7.27±0.40(Predicted)
PSA：243.73000
Density:1.98±0.1 g/cm3(Predicted)
LogP:2.86810
Storage Temp.:-20°C Freezer
Solubility.:DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly, Heated)
XLogP3:-2.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:353.03985089
Heavy Atom Count:21
Complexity:538

Purity/Quality:

99%, ^*data from raw suppliers

3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidineFamotidineSulfoxide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(N=C(S1)N=C(N)N)CS(=O)CCC(=NS(=O)(=O)N)N
Isomeric SMILES:C1=C(N=C(S1)N=C(N)N)CS(=O)CC/C(=N/S(=O)(=O)N)/N
Uses An intermediate in the synthesis of the metabolite of the drug Famotidine (F102250(P)), which is a histamine H2-receptor antagonist and an antiulcerative.

Technology Process of 3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine

There total 2 articles about 3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine 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:

: 76824-35-6
famotidine

: 90237-03-9
3-<<<2-<(diaminomethylene)amino>-4-thiazolyl>methyl>sulfinyl>-N²-sulfamoylpropionamidine

Guidance literature:: With sodium periodate; In methanol; water; for 1h; Ambient temperature;
DOI:10.1021/jm00393a018

Reference yield:

: 76823-94-4
methyl 3-<<<2-<(diaminomethylene)amino>-4-thiazolyl>methyl>thio>propionimidate

: 90237-03-9
3-<<<2-<(diaminomethylene)amino>-4-thiazolyl>methyl>sulfinyl>-N²-sulfamoylpropionamidine

Guidance literature:: Multi-step reaction with 2 steps

1: 54.7 percent / H₂NSO₂NH₂ / methanol / 47 h / Ambient temperature

2: sodium metaperiodate / H₂O; methanol / 1 h / Ambient temperature

With sodium periodate; SULFAMIDE; In methanol; water;
DOI:10.1021/jm00393a018