N-(Methyl)mercaptoacetamide - ≥95% , CAS No.20938-74-3

CAS: 20938-74-3 Cat. No.: M124593 Molecular Weight: 105.16 Beilstein Registry Number: 1740652 EC Number: 629-060-1

GRADE & PURITY ≥95%

Synonyms

CHEBI:38731 | A919357 | N-methyl-2-mercaptoacetamide | SCHEMBL314398 | Z1203730878 | Q27117967 | EN300-200189 | Acetamide, 2-mercapto-N-methyl- | J-013729 | NoName_1671 | thioglycolic methylamide | 2-mercapto-N-methylacetamide | MFCD00042981 | n-methyl-me

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

A mild reducing agent for methionine sulfoxide

Specifications

Synonyms

CHEBI:38731 | A919357 | N-methyl-2-mercaptoacetamide | SCHEMBL314398 | Z1203730878 | Q27117967 | EN300-200189 | Acetamide, 2-mercapto-N-methyl- | J-013729 | NoName_1671 | thioglycolic methylamide | 2-mercapto-N-methylacetamide | MFCD00042981 | n-methyl-me

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

N-(Methyl)mercaptoacetamide is a reducing agent that reacts with methionine sulfoxide moieties. N-(Methyl)mercaptoacetamide may be used as a reference material in assays wherein this molecule is an expected leaving group. N-(Methyl)mercaptoacetamide is us

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504762811
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762811
• Canonical Smiles: CNC(=O)CS
• IUPAC Name: N-methyl-2-sulfanylacetamide
• InChIKey: NSJNRJYQQPRCLF-UHFFFAOYSA-N
• INCHI: 1S/C3H7NOS/c1-4-3(5)2-6/h6H,2H2,1H3,(H,4,5)
• Isomeric SMILES: CNC(=O)CS
• WGK Germany: 3
• Molecular Weight: 105.16
• Beilstein: 1740652
• Reaxy-Rn: 1740652
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740652&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Secondary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Secondary carboxylic acid amides
• Alternative Parents: Alkylthiols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary carboxylic acid amide - Alkylthiol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
• External Descriptors: monocarboxylic acid amide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Refractive Index: 1.523
• Boil Point(°C): 83-85°C/0.3mmHg
• Molecular Weight: 105.160 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 105.025 Da
• Monoisotopic Mass: 105.025 Da
• Topological Polar Surface Area: 30.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 54.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1