Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate

Base Information

Chemical Name:Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate
CAS No.:68892-07-9
Molecular Formula:C6H8N2O2S
Molecular Weight:172.208
Hs Code.:2933290090
European Community (EC) Number:272-595-7
NSC Number:313360
DSSTox Substance ID:DTXSID3071806
Nikkaji Number:J332.669A
Mol file:68892-07-9.mol

Synonyms:68892-07-9;Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate;Methyl 1-methyl-2-sulfanyl-1H-imidazole-5-carboxylate;METHYL 1-METHYL-2-MERCAPTO-1H-IMIDAZOLE-5-CARBOXYLATE;methyl 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylate;EINECS 272-595-7;1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester;2-Mercapto-1-methylimidazole-5-carboxylic acid methyl ester;2-MERCAPTO-3-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER;Methyl 2,3-dihydro-3-methyl-2-thioxo-1H-imidazole-4-carboxylate;NSC313360;Maybridge4_002452;SCHEMBL6344541;SCHEMBL9560023;DTXSID3071806;HMS1527P10;AMY12228;MFCD00206762;AKOS004903086;AB04779;AC-9345;NSC 313360;NSC-313360;CS-0035773;FT-0628459;EN300-87117;4H-021;J-522032;BRD-K72749295-001-01-2;Z1201619772;METHYL 1-METHYL-2-MERCAPTO-1H-5-IMIDAZOLECARBOXYLATE;METHYL1-METHYL-2-SULFANYL-1H-IMIDAZOLE-5-CARBOXYLATE;1H-Imidazole-4-carboxylic acid,3-dihydro-3-methyl-2-thioxo-, methyl ester;2,3-Dihydro-3-methyl-2-thioxo-1H-imidazole-4-carboxylic acid methyl ester

Suppliers and Price of Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate

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
Methyl2-Mercapto-1-methyl-1H-imidazole-5-carboxylate
50mg
$ 45.00

TRC
Methyl2-Mercapto-1-methyl-1H-imidazole-5-carboxylate
100mg
$ 60.00

SynQuest Laboratories
Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate
5 g
$ 173.00

SynQuest Laboratories
Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate
1 g
$ 48.00

SynQuest Laboratories
Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate
10 g
$ 282.00

Matrix Scientific
Methyl 1-methyl-2-sulfanyl-1H-imidazole-5-carboxylate >95%
1g
$ 603.00

Matrix Scientific
Methyl 1-methyl-2-sulfanyl-1H-imidazole-5-carboxylate >95%
500mg
$ 486.00

Matrix Scientific
Methyl 1-methyl-2-sulfanyl-1H-imidazole-5-carboxylate >95%
5g
$ 1384.00

Crysdot
Methyl2-mercapto-1-methyl-1H-imidazole-5-carboxylate 95+%
25g
$ 515.00

Crysdot
Methyl2-mercapto-1-methyl-1H-imidazole-5-carboxylate 95+%
10g
$ 257.00

Total 25 raw suppliers

Chemical Property of Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate

Chemical Property:

Vapor Pressure:0.0376mmHg at 25°C
Melting Point:188 °C
Refractive Index:1.616
Boiling Point:240.6 °C at 760 mmHg
Flash Point:99.3 °C
PSA：82.92000
Density:1.36 g/cm³
LogP:0.49540
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:172.03064868
Heavy Atom Count:11
Complexity:237

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-Mercapto-1-methyl-1H-imidazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: S24/25:Avoid contact with skin and eyes.;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=CNC1=S)C(=O)OC

Technology Process of Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate

There total 4 articles about Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate 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:

: 107-31-3
Methyl formate

: 68892-06-8
methyl N-formyl-N-methylglycinate

: 333-20-0
potassium thioacyanate

: 68892-07-9
1-methyl-5-carbomethoxy-2-thio-imidazole

Guidance literature:: With hydrogenchloride; sodium methylate; Yield given. Multistep reaction; 1.) benzene, 0 deg C to room temp., then room temp., 1.5 h, 2.) water, 100 deg C, 3 h, then room temp., overnight;
DOI:10.1055/s-1988-27702

Reference yield:

: 68892-07-9
1-methyl-5-carbomethoxy-2-thio-imidazole

Guidance literature:: N-Methyl-N-formyl-glycin-aethylester u. Ameisensaeure-methylester + Natriummethylat ; Rkprod. + Rhodanwasserstoff;

Reference yield:

: 333-20-0
potassium thioacyanate

: C₆H₉NO₄

: 68892-07-9
methyl (2-mercapto-3-methylimidazol-4-yl)methanoate

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; water; at 65 - 70 ℃; for 24h;
DOI:10.1002/1099-0682(200209)2002:9<2402::AID-EJIC2402>3.0.CO;2-0