thiocholine iodide - ≥95% , CAS No.7161-73-1

CAS: 7161-73-1 Cat. No.: T304468 분자식: C₅H₁₄INS 분자량: 247.14 PubChem CID: 3014543

GRADE & PURITY ≥95%

Synonyms

7161-73-1|THIOCHOLINE IODIDE|(2-Mercaptoethyl)trimethylammonium iodide|Ethanaminium,2-mercapto-N,N,N-trimethyl-, iodide (1:1)|trimethyl(2-sulfanylethyl)azanium;iodide|2-Mercapto-N,N,N-trimethylethan-1-aminium iodide|CHEMBL147699|EINECS 230-513-7|Ethanamin

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

7161-73-1 | THIOCHOLINE IODIDE | (2-Mercaptoethyl)trimethylammonium iodide | Ethanaminium,2-mercapto-N,N,N-trimethyl-, iodide (1:1) | trimethyl(2-sulfanylethyl)azanium;iodide | 2-Mercapto-N,N,N-trimethylethan-1-aminium iodide | CHEMBL147699 | EINECS 230-513-7 | Ethanamin

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

• 정식 스마일: C[N+](C)(C)CCS.[I-]
• IUPAC Name: trimethyl(2-sulfanylethyl)azanium;iodide
• InChIKey: CTGNYPVJSIRPLG-UHFFFAOYSA-N
• INCHI: 1S/C5H13NS.HI/c1-6(2,3)4-5-7;/h4-5H2,1-3H3;1H
• 이성체 SMILES: C[N+](C)(C)CCS.[I-]
• PubChem CID: 3014543
• 분자량: 247.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Alkylthiols Organic iodide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Alkylthiol - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organosulfur compound - Amine - Organic cation - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 247.140 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 246.989 Da
• Monoisotopic Mass: 246.989 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.500
• 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: 2

XLogP3