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CarbaMic acid, [iMino(Methylthio)Methyl]-, 1,1-diMethylethyl ester 9CI

  • CAS No. 173998-77-1

  • Cat. No. CS-0059818
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

CarbaMic acid, [iMino(Methylthio)Methyl]-, 1,1-diMethylethyl ester 9CI|CS-0059818

Structure of 173998-77-1

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General Information

  • CAS No. 173998-77-1
  • Cat. No. CS-0059818
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₄N₂O₂S
  • Molecular Weight 190.26
  • Synonym(s) Carbamic acid, [imino(methylthio)methyl]-, 1,1-dimethylethyl ester (9CI)
  • SMILES C(NC(SC)=N)(=O)OC(C)(C)C

Description

1-N-Boc-2-Methyl-Isothiourea features a protected isothiourea core with a methyl group at the 2-position, offering enhanced stability and controlled reactivity. This bench-stable derivative enables selective incorporation into peptide architectures and functional materials, serving as a reliable scaffold for bioconjugation and medicinal chemistry applications.

Application

1-N-Boc-2-Methyl-Isothiourea serves as a stable, bench-ready isothiourea derivative enabling efficient nucleophilic catalysis in amide bond formation and urea synthesis. Its Boc-protected nitrogen enhances functional group tolerance and simplifies purification, while the methyl substitution improves reactivity in standard coupling protocols. Functions reliably in peptide coupling and heterocycle construction workflows with minimal side-product formation.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   62.18
  • LogP   1.80887
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   0

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