Lot numbers can be found on the outside label of a product:
1,3-Bis(carbomethoxy)-S-methylisothiourea
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CAS No. 34840-23-8
- Cat. No. CS-0112935
- Purity≥95%
- MDL No.MFCD00590781
*For research and further manufacturing use only, not for direct human use.
Structure of 34840-23-8
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General Information
- CAS No. 34840-23-8
- Cat. No. CS-0112935
- Purity ≥95%
- MDL No. MFCD00590781
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₁₀N₂O₄S
- Molecular Weight 206.22
- Synonym(s) Methyl (((methoxycarbonyl)amino)(methylthio)methylene)carbamate
- SMILES CS/C(NC(OC)=O)=N\C(OC)=O
Description
1,3-Bis(carbomethoxy)-S-methylisothiourea features a dual carbomethoxy substitution that enhances solubility and reactivity in polar media. The S-methylthiourea core provides a stable, electron-rich scaffold ideal for nucleophilic coupling reactions. This compound serves as a versatile precursor in the synthesis of heterocyclic systems and bioactive molecules under standard conditions.
Application
1,3-Bis(carbomethoxy)-S-methylisothiourea serves as a versatile building block in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds through controlled nucleophilic addition and cyclization reactions. Its dual ester functionality provides enhanced solubility and stability under standard reaction conditions, while the isothiourea core facilitates efficient coupling with electrophiles. The molecule demonstrates excellent functional group tolerance and simplifies purification due to its high polarity, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
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Route1
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In-stock
14527-26-5 -
79-22-1 - ~71%
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In-stock
34840-23-8
References
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BioCryst Pharmaceuticals, Inc. Patent: US2004/254181 A1, 2004 ; Location in patent: Page 16 ;
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Route2
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2986-19-8 -
79-22-1
- ~45%
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In-stock
34840-23-8
References
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Fonseca, Tatiana; Gigante, Barbara; Marques, M. Matilde; Gilchrist, Thomas L.; De Clercq, Erik Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 1 p. 103 - 112
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Route3
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In-stock
867-44-7 -
79-22-1
- ~%
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In-stock
34840-23-8
References
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Journal of Medicinal Chemistry, , vol. 32, # 2 p. 409 - 417
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 76.99
- LogP 0.8278
- H_Acceptors 5
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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