2-Methyl-2-thiopseudourea sulfate

Base Information

• Chemical Name: 2-Methyl-2-thiopseudourea sulfate
• CAS No.: 14527-26-5
• Deprecated CAS: 147895-43-0
• Molecular Formula: C₂H₆N₂S*H₂O₄S
• Molecular Weight: 188.229
• Hs Code.: 2930909090
• European Community (EC) Number: 218-860-2,238-544-8
• NSC Number: 227845,516
• DSSTox Substance ID: DTXSID50932549
• ChEMBL ID: CHEMBL1256354
• Mol file: 14527-26-5.mol

Synonyms:2-Methyl-2-thiopseudourea sulfate;14527-26-5;2260-00-6;Methyl carbamimidothioate sulfate;S-Methylthiourea sulfate;Carbamimidothioic acid, methyl ester, sulfate;Methyl thiopseudourea sulfate;S-Methylthiopseudourea sulfate;S-Methylisothioureasulfate;USAF EK-1231;2-Methyl-2-thiopeudourea sulfate;Bis(S-methylthiouronium) sulphate;S-Methylthiuronium sulfate;S-Methylthiouronium sulfate;Carbamimidothioic acid, methyl ester, sulfate (1:1);S-Methylisothiuronium sulfate;methyl carbamimidothioate;sulfuric acid;S-Methylpseudothiourea sulfate;2-Methylisothiouronium sulfate;S-Methylisothiourea sulfate (1:1);EINECS 218-860-2;EINECS 238-544-8;2-Methyl-2-thiopseudourea monosulfate;NSC 227845;2-Methylisothiouronium hydrogen sulphate;2-METHYL-2-THIOPSEUDOUREA,SULFATE;C2H6N2S.H2O4S;CHEMBL1256354;Methylisothiourea Sulfate;Pseudourea, 2-methyl-2-thio-, sulfate (1:1);Carbamimidothioic acid, methyl ester, sulfate (1:?);S-methylisothiourea hydrogen sulfate;s-methylisothiourea-sulfate;2-methylisothiourea sulfate;2-methylisothiourea sulphate;C2H6N2S.xH2O4S;Pseudourea, hydrogen sulfate;S-methyl-isothiourea sulfate;2-methyl-isothiourea sulfate;SCHEMBL18206;Pseudourea, sulfate (2:1);S-methyl-isothiourea sulphate;2-methylthiopseudourea sulfate;S-methyl-iso-thiourea sulphate;AMY304;C2H8N2O4S2;NSC516;Bis(s-methylthiouronium)sulphate;DTXSID50932549;s-methyl-2-thiopseudourea sulfate;2-methylisothiourea;s-methyl-2-thiopseudourea sulphate;2-methyl 2-thiopseudourea sulphate;2-methyl-2-thiopseudourea sulphate;S-methylisothiopseudouronium sulfate;2 -methyl-2-thiopseudourea sulfate;2-methyl-2-thio-pseudourea sulfate;BDBM50194240;NSC227845;C2-H6-N2-S.H2-O4-S;AKOS005068053;C2-H6-N2-S.x-H2-O4-S;2-Methyl-2-thiopseudourea, hemisulfate;Carbamimidothioic acid, sulfate (1:1);Carbamimidothioic acid, sulfate (2:1);NSC-227845;AS-80386;LS-126193;LS-126195;S-methylisothiopseudouronium sulfate (1:1);CS-0134406;FT-0612930;FT-0612931;(methylsulfanyl)methanimidamide;E70432;Sulfuric acid--methyl carbamimidothioate (1/1);A816279;A841823;carbamimidothioic acid methyl ester;Carbamimidothioic acid, methyl ester, sulfate (1:1) (9CI)

Chemical Property of 2-Methyl-2-thiopseudourea sulfate

Chemical Property:

• Vapor Pressure: 9.15E-08mmHg at 25°C
• Boiling Point: 138.8°Cat760mmHg
• Flash Point: 37.7°C
• PSA: 158.15000
• Density: 1.26g/cm³
• LogP: 1.47090
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 187.99254909
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

Methyl imidothiocarbamate sulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=N)N.OS(=O)(=O)O
• Uses: Methyl Carbamimidothioate Sulfate is an inhibitor of inducible nitric oxide synthetase (iNOS). It is also used in the preparation of cephalosporins (1-azacephem) and methanesulfonyl chloride.

Technology Process of 2-Methyl-2-thiopseudourea sulfate

There total 2 articles about 2-Methyl-2-thiopseudourea sulfate 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: 25.9%

thiourea (17356-08-0) + dimethyl sulfate (77-78-1) → 2-methylisothiourea sulphate (14527-26-5,867-44-7,147895-43-0)

Guidance literature:

In water; at 80 ℃; for 6.5h; Reflux;

DOI:10.1021/acs.jmedchem.6b01576

Reference yield:

methanol (67-56-1) + thiouronium hydrogensulfate (37622-16-5) → 2-methylisothiourea sulphate (14527-26-5,867-44-7,147895-43-0)

Guidance literature:

DOI:10.1039/CT9171100650

Reference yield: 94.8%

2-methylisothiourea sulphate (14527-26-5,867-44-7,147895-43-0) + methylamine (74-89-5) → 1-methylguanidine (471-29-4)

Guidance literature:

2-methylisothiourea sulphate; methylamine; In water; at 20 ℃; for 16h; Reflux;

With barium(II) hydroxide; In water; at 50 ℃; for 1h;

DOI:10.1021/acs.joc.8b01710

upstream raw materials:

methanol

thiouronium hydrogensulfate

thiourea

dimethyl sulfate

Downstream raw materials:

1-pyrrolidinecarboximidamide

(4-guanidino-phenyl)-arsonic acid

isonicotinic acid 2-amidinohydrazide

dodecylguanidine

Refernces

• 1、 Taylor. "-". . . Retrieved 1920.
• 2、 Barker, Courtney A.,Allison, Sarah E.,Zlitni, Soumaya,Nguyen, Nick Duc,Das, Rahul,Melacini, Giuseppe,Capretta, Alfredo A.,Brown, Eric D.. "Degradation of MAC13243 and studies of the interaction of resulting thiourea compounds with the lipoprotein targeting chaperone LolA". supporting information. p. 2426 - 2431. Retrieved 2013/05/21.