C6H10N2O4S

Base Information

• Chemical Name: C6H10N2O4S
• CAS No.: 34840-23-8
• Molecular Formula: C6H10N2O4S
• Molecular Weight: 206.222
• Hs Code.: 2930909899
• European Community (EC) Number: 252-240-2
• Mol file: 34840-23-8.mol

Synonyms:1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea;34840-23-8;C6H10N2O4S;C6-H10-N2-O4-S;SCHEMBL12998079;MFCD00674104;AKOS024257096;AS-11530;BP-10478;EN300-7376713;W-106708;1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea, 97%;methyl N-[(1E)-[(methoxycarbonyl)amino](methylsulfanyl)methylidene]carbamate

Chemical Property of C6H10N2O4S

Chemical Property:

• Melting Point: 102-105 °C(lit.)
• Refractive Index: 1.519
• PKA: 6.38±0.46(Predicted)
• PSA: 102.29000
• Density: 1.3 g/cm³
• LogP: 1.21870
• Water Solubility.: 1.2g/L at 15℃
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 206.03612798
• Heavy Atom Count: 13
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

1,3-bis(Methoxycarbonyl)-2-methyl-2-thiopseudourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NC(=NC(=O)OC)SC
• Isomeric SMILES: COC(=O)N/C(=N\C(=O)OC)/SC
• Uses: 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea may be used in the following syntheses:methyl (6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)carbamate2-amino-5-benzyl-6-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-onemethyl-{5-[(3-hydroxypropyl)thio]-1H-benzo[d]imidazol-2-yl}carbamate (hydroxyalbendazole)methyl-{5-[(4-hydroxyphenyl)thio]-1H-benzo[d]imidazol-2-yl} carbamate (hydroxyfenbendazole)

Technology Process of C6H10N2O4S

There total 9 articles about C6H10N2O4S 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: 93.0%

S-Methylisothiourea sulfate (867-44-7,147895-43-0) + methyl chloroformate (79-22-1) → 1,3-Dicarbomethoxy-S-methylisothiourea (34840-23-8)

Guidance literature:

S-Methylisothiourea sulfate; methyl chloroformate; In water; at 0 ℃; for 0.0833333h;

With sodium hydroxide; In water; for 5h; pH=Ca. 9;

Reference yield: 70.0%

2-methylisothiourea sulphate (14527-26-5,867-44-7,147895-43-0) + methyl chloroformate (79-22-1) → 1,3-Dicarbomethoxy-S-methylisothiourea (34840-23-8)

Guidance literature:

With sodium hydroxide; In water; at 0 - 5 ℃; pH=9;

Reference yield: 70.0%

2-methylisothiourea sulphate (14527-26-5,867-44-7,147895-43-0) + methyl chloroformate (79-22-1) → [[(Methoxycarbonyl)amino](methylthio)-methylene]carbamic acid,methyl ester (34840-23-8)

Guidance literature:

With sodium hydroxide; In water;

upstream raw materials:

2-methylisothiourea sulphate

methyl chloroformate

S-Methylisothiourea sulfate

thiourea

Downstream raw materials:

C₁₉H₂₀N₄O₆

C₁₉H₂₀N₄O₆

2-(N',N''-Bismethoxycarbonylguanidino)-5-phenylthio-acetanilid

C₂₀H₂₂N₄O₆

Refernces

• 1、 Rodriguez, Rodrigo A.,Pan, Chung-Mao,Yabe, Yuki,Kawamata, Yu,Eastgate, Martin D.,Baran, Phil S.. "Palauchlor: A practical and reactive chlorinating reagent". supporting information. p. 6908 - 6911. Retrieved 2014/06/09.
• 2、 Fonseca, Tatiana,Gigante, Barbara,Marques, M. Matilde,Gilchrist, Thomas L.,De Clercq, Erik. "Synthesis and antiviral evaluation of benzimidazoles, quinoxalines and indoles from dehydroabietic acid". . p. 103 - 112. Retrieved 2007/10/03.