Cystamine Sulfate - ≥98%(T) , CAS No.16214-16-7

CAS: 16214-16-7 Cat. No.: C135558 Molecular Weight: 250.35 EC Number: 240-340-9

GRADE & PURITY ≥98%(T)

Synonyms

D97659 | 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid | 2-[(2-aminoethyl)disulfanyl]ethan-1-amine; sulfuric acid | AS-64968 | J-019513 | 2,2'-Disulfanediyldiethanamine sulfate | Sulfuric acid--2,2'-disulfanediyldi(ethan-1-amine) (1/1) | 2,2'-Diamino

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

D97659 | 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid | 2-[(2-aminoethyl)disulfanyl]ethan-1-amine; sulfuric acid | AS-64968 | J-019513 | 2, 2'-Disulfanediyldiethanamine sulfate | Sulfuric acid--2, 2'-disulfanediyldi(ethan-1-amine) (1/1) | 2, 2'-Diamino

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: C(CSSCCN)N.OS(=O)(=O)O
• IUPAC Name: 2-(2-aminoethyldisulfanyl)ethanamine;sulfuric acid
• InChIKey: XVCYODCCYCPADG-UHFFFAOYSA-N
• INCHI: 1S/C4H12N2S2.H2O4S/c5-1-3-7-8-4-2-6;1-5(2,3)4/h1-6H2;(H2,1,2,3,4)
• Isomeric SMILES: C(CSSCCN)N.OS(=O)(=O)O
• Alternate CAS: 342385-53-9；51-85-4；56-17-7
• Molecular Weight: 250.35
• Reaxy-Rn: 28505383
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28505383&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Organic sulfuric acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Organic sulfuric acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids
• Alternative Parents: Dialkyldisulfides Sulfenyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfuric acid - Dialkyldisulfide - Organic disulfide - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic sulfuric acids. These are organic compounds containing the sulfuric acid functional group, with the generic structure HOS(=O)(=O)OH.
• 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

Chemical and Physical Properties

• Molecular Weight: 250.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 250.012 Da
• Monoisotopic Mass: 250.012 Da
• Topological Polar Surface Area: 186.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 118.000
• 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: 2

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