1,3-Bis(carbomethoxy)-S-methylisothiourea

Name: 1,3-Bis(carbomethoxy)-S-methylisothiourea
Brand: ChemScene
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CAS No. 34840-23-8
Cat. No. CS-0112935
Purity≥95%
MDL No.MFCD00590781

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1,3-Bis(carbomethoxy)-S-methylisothiourea|CS-0112935

Structure of 34840-23-8

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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.

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

Computational Chemistry Data

TPSA 76.99
LogP 0.8278
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 0

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Other Classifications

Building Blocks Functional Group Thioether

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty chain compounds

Chemical Synthesis Synthetic Reagents C-X(Non-Halogen) Bond Formation Guanidinylation

Key Words

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1,3-Bis(carbomethoxy)-S-methylisothiourea

CAS No. 34840-23-8

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