Methylsulfamic Acid - ≥98% , CAS No.4112-03-2

CAS: 4112-03-2 Cat. No.: M158775 Summenformel: CH₅NO₃S Molekulargewicht: 111.12 Beilstein Registry Number: 4(1)341 EG-Nummer: 223-895-1

GRADE & PURITY ≥98%

Synonyms

NSC54922 | NSC-54922 | T72441 | SCHEMBL28335 | DTXSID00961445 | SY050618 | Methylsulamic acid | MFCD00010870 | M1083 | Sulfamic acid, methyl- | AKOS005255225 | SCHEMBL8818424 | methyl sulfamic acid | Methylsulfamic acid | FT-0635137 | BS-44091 | MYMDOKBFM

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

Application：

Methylsulfamic acid has been used in the preparation of nitroaroyl- or nitroarylsulphonyl-sulphamic acids via condensation reaction with certain nitroaroyl and nitroarylsulphonyl chlorides.

Specifications

Synonyme

NSC54922 | NSC-54922 | T72441 | SCHEMBL28335 | DTXSID00961445 | SY050618 | Methylsulamic acid | MFCD00010870 | M1083 | Sulfamic acid, methyl- | AKOS005255225 | SCHEMBL8818424 | methyl sulfamic acid | Methylsulfamic acid | FT-0635137 | BS-44091 | MYMDOKBFM

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504758069
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758069
• Kanonisches Lächeln: CNS(=O)(=O)O
• IUPAC Name: methylsulfamic acid
• InChIKey: MYMDOKBFMTVEGE-UHFFFAOYSA-N
• INCHI: 1S/CH5NO3S/c1-2-6(3,4)5/h2H,1H3,(H,3,4,5)
• Isomere SMILES: CNS(=O)(=O)O
• Molekulargewicht: 111.12
• Beilstein: 4(1)341
• Reaxy-Rn: 1746812
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746812&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid monoamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid monoamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid monoamides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfuric acid monoamide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sulfuric acid monoamides. These are organic compounds containing the sulfuric acid amid functional group, with the generic structure ROS(=O)(=O)N(R')R'' (R = any atom, R' = organyl, R''=H or organyl).
• External Descriptors: Not available

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Molekulargewicht: 111.120 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 110.999 Da
• Monoisotopic Mass: 110.999 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 107.000
• 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