Ethylsulfamic acid - ≥95% , CAS No.4626-94-2

CAS: 4626-94-2 Cat. No.: E1049921 분자식: C₂H₇NO₃S 분자량: 125.15 PubChem CID: 244259

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

사양 및 순도

≥95%

보관 조건

Room temperature

순수함

≥95%

이름과 식별자

• 정식 스마일: CCNS(=O)(=O)O
• IUPAC Name: ethylsulfamic acid
• InChIKey: SIVVHUQWDOGLJN-UHFFFAOYSA-N
• INCHI: 1S/C2H7NO3S/c1-2-3-7(4,5)6/h3H,2H2,1H3,(H,4,5,6)
• 이성체 SMILES: CCNS(=O)(=O)O
• PubChem CID: 244259
• 분자량: 125.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 125.150 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 125.015 Da
• Monoisotopic Mass: 125.015 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 120.000
• 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