1,2-Dimethyl-2-thiopseudourea hydriodide

Base Information

• Chemical Name: 1,2-Dimethyl-2-thiopseudourea hydriodide
• CAS No.: 41306-45-0
• Molecular Formula: C3H9IN2S
• Molecular Weight: 232.088
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70483043
• Mol file: 41306-45-0.mol

Synonyms:41306-45-0;1,2-Dimethyl-2-thiopseudourea hydriodide;1,2-Dimethylisothiourea hydriodate;methyl N'-methylcarbamimidothioate;hydroiodide;N,S-Dimethylisothiouronium hydriodide;MFCD00192092;N-methyl(methylsulfanyl)methanimidamide hydroiodide;1,2-Dimethylisothiourea-HI;SCHEMBL1763605;DTXSID70483043;UDUMWDDMSHXGGQ-UHFFFAOYSA-N;N,S-dimethyl-isothiourea hydroiodide;1,2-dimethyl-isothiourea hydroiodide;AKOS008057855;AKOS015899551;AKOS030701516;AT32120;AS-61855;1,2-DIMETHYLISOTHIOUREA HYDROIODIDE;CS-0204572;EN300-208540;1,2-Dimethyl-2-thiopseudourea hydriodide, 98%;Z107728770

Chemical Property of 1,2-Dimethyl-2-thiopseudourea hydriodide

Chemical Property:

• Vapor Pressure: 0.0312mmHg at 25°C
• Melting Point: 134-136 °C(lit.)
• Boiling Point: 237.7 °C at 760 mmHg
• Flash Point: 97.6 °C
• PSA: 61.18000
• LogP: 1.99240
• Sensitive.: Hygroscopic
• Solubility.: methanol: soluble25mg/mL, clear, colorless
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 231.95312
• Heavy Atom Count: 7
• Complexity: 59.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-Dimethyl-2-thiopseudourea hydroiodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN=C(N)SC.I

Technology Process of 1,2-Dimethyl-2-thiopseudourea hydriodide

There total 1 articles about 1,2-Dimethyl-2-thiopseudourea hydriodide 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: 100.0%

1-(methyl)-thiourea (598-52-7) + methyl iodide (74-88-4) → N,S-dimethylisothiourea hydroiodide (41306-45-0)

Guidance literature:

In methanol; for 1h;

DOI:10.1021/jm000095f

Reference yield: 100.0%

6,7-dimethoxy-1H-benzo[d][1,3]oxazine-2,4-dione (20197-92-6) + N,S-dimethylisothiourea hydroiodide (41306-45-0) → 2-(methylamino)-6,7-dimethoxy-4(1H)-quinazolinone (17148-62-8)

Guidance literature:

With sodium carbonate; In water; acetonitrile; for 2h; Heating;

DOI:10.1021/jm00348a018

Reference yield: 75.0%

N,S-dimethylisothiourea hydroiodide (41306-45-0) + 2-<(4-fluorophenyl)methyl>-2H-pyrido<2,3-d><1,3>oxazine-2,4-(1H)-dione (53914-11-7) → 2-(4-fluorophenyl)methylamino-N-(methylamino)(methylthio)methylene-3-pyridinecarboxamide (58537-02-3)

Guidance literature:

With sodium carbonate; In acetonitrile; for 1h; Heating;

upstream raw materials:

1-(methyl)-thiourea

methyl iodide

Downstream raw materials:

N,N,N'-trimethyl-guanidine

N,N'-dimethyl-guanidine

S-<2-(3-Methyl-guanidino)-aethyl>-thioschwefelsaeure

N-benzylidenamino-N'-methyl-guanidine

Refernces

• 1、 Larsen,Connell,Cudahy,Evans,May,Meglasson,O'Sullivan,Schostarez,Sih,Stevens,Tanis,Tegley,Tucker,Vaillancourt,Vidmar,Watt,Yu. "Synthesis and biological activity of analogues of the antidiabetic/antiobesity agent 3-guanidinopropionic acid: Discovery of a novel aminoguanidinoacetic acid antidiabetic agent". . p. 1217 - 1230. Retrieved 2007/10/03.
• 2、 Moore, William M.,Webber, R. Keith,Fok, Kam F.,Jerome, Gina M.,Kornmeier, Christine M.,Tjoeng, Foe S.,Currie, Mark G.. "Inhibitors of human nitric oxide synthase isoforms with the carbamidine moiety as a common structural element". . p. 1559 - 1564. Retrieved 2007/10/03.