Methyl 3-{[2-(diaminomethyleneamino)thiazol-4-YL]methylthio}propanimidate

Base Information

Chemical Name:Methyl 3-{[2-(diaminomethyleneamino)thiazol-4-YL]methylthio}propanimidate
CAS No.:76823-94-4
Molecular Formula:C9H15 N5 O S2
Molecular Weight:273.383
Hs Code.:2934100090
DSSTox Substance ID:DTXSID30868418
Nikkaji Number:J94.740G
Mol file:76823-94-4.mol

Synonyms:76823-94-4;METHYL 3-{[2-(DIAMINOMETHYLENEAMINO)THIAZOL-4-YL]METHYLTHIO}PROPANIMIDATE;methyl 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidate;3-(((2-Guanidino-4-thiazolyl)methyl)thio)propanimidcacidmethylester;3-(((2-GUANIDINO-4-THIAZOLYL)METHYL)THIO)PROPANIMIDC ACID METHYL ESTER;Methyl3-[[[2-[(Diaminomethylene-13C]amino-4-[1,4-13C2-thiazolyl]methyl]-thio]propionimidate;Dediaminosulfonyl Hydroxymethyl Famotidine;methyl 3-((2-(diaminomethyleneamino)thiazol-4-yl)methylthio)propanimidate;ZTEHTGMWGUKFNE-UHFFFAOYSA-N;TRIPHENYLARSINEOXIDE;METHYL 3-[[[2-[(DIAMINOMETHYLENE]AMINO-4-THIAZOLYL]METHYL]-THIO]PROPIONIMIDATE;SCHEMBL10539430;DTXSID30868418;Propanimidic acid, 3-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)thio)-, methyl ester;FT-0671666;A838849;methyl 3-(2-guanidino-4thiazolylmethylthio)propionimidate;Methyl 3-(2-guanidino-4-thiazolylmethylthio)propionimidate;methyl 3-(2-guanidinothiazol-4-ylmethylthio)propionimidate;methyl 3-[(2-guanidinothiazol-4-yl)methylthio]propionimidate;3-(((2-Guanidino-4-thiazolyl)methyl)thio)propanimidic acid methyl ester;3-[[2-(diaminomethylideneamino)-4-thiazolyl]methylthio]propanimidic acid methyl ester;methyl 3-[[[2-[(diaminomethylene)amino]-4-thiazolyl]-methyl]thio]propionimidate;methyl 3-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]methylsulfanyl]propanimidate;METHYL 3-[({2-[(DIAMINOMETHYLIDENE)AMINO]-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PROPANIMIDATE

Suppliers and Price of Methyl 3-{[2-(diaminomethyleneamino)thiazol-4-YL]methylthio}propanimidate

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

TRC
DediaminosulfonylHydroxymethylFamotidine
250mg
$ 275.00

American Custom Chemicals Corporation
METHYL 3-[[[2-[(DIAMINOMETHYLENE]AMINO-4-THIAZOLYL]METHYL]THIO]PROPIONIMIDATE 95.00%
5MG
$ 503.79

Total 11 raw suppliers

Chemical Property of Methyl 3-{[2-(diaminomethyleneamino)thiazol-4-YL]methylthio}propanimidate

Chemical Property:

Vapor Pressure:3.72E-07mmHg at 25°C
Boiling Point:416.8°C at 760 mmHg
PKA:8.53±0.70(Predicted)
Flash Point:205.9°C
PSA：161.41000
Density:1.49g/cm³
LogP:2.66820
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:273.07180247
Heavy Atom Count:17
Complexity:283

Purity/Quality:

97% ^*data from raw suppliers

DediaminosulfonylHydroxymethylFamotidine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=N)CCSCC1=CSC(=N1)N=C(N)N
Uses Dediaminosulfonyl Hydroxymethyl Famotidine is an impurity of Famotidine (F102250), a histamine H2-receptor antagonist.

Technology Process of Methyl 3-{[2-(diaminomethyleneamino)thiazol-4-YL]methylthio}propanimidate

There total 8 articles about Methyl 3-{[2-(diaminomethyleneamino)thiazol-4-YL]methylthio}propanimidate 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: 81.8%

: 67-56-1
methanol

: 76823-93-3
N''-[4-[[(2-cyanoethyl)thio]methyl]-2-thiazolyl]-guanidine

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

Guidance literature:: With hydrogenchloride; In N,N-dimethyl-formamide; at 4 ℃; for 48h;
DOI:10.1021/jm00373a007

Reference yield:

: 3-(2-guanidinothiazol-4-yl-methylthio)-propionitrile

: 76823-94-4
methyl 3-[(2-guanidinothiazol-4-yl)methylthio]propionimidate

Guidance literature:: With potassium carbonate; In methanol; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; chloroform; nitrogen;

Reference yield:

: 76823-89-7
3-(2-aminothiazol-4-yl-methylthio)propionitrile

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

Guidance literature:: Multi-step reaction with 5 steps

1: 87.3 percent / acetone / 5 h / Heating

2: 93.5 percent / aq. K₂CO₃ / acetone; methanol / 5 h / 50 °C

3: 89.9 percent / ethanol / 1 h / Heating

4: 51.45 percent / ammonia, NH₄Cl / methanol / 15 h / 80 - 90 °C

5: 81.8 percent / HCl / dimethylformamide / 48 h / 4 °C

With hydrogenchloride; ammonia; potassium carbonate; ammonium chloride; In methanol; ethanol; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm00373a007