S-(2-Aminoethyl)-L-cysteine hydrochloride - ≥98% , CAS No.4099-35-8

CAS: 4099-35-8 Cat. No.: S170219 Molecular Weight: 200.69 PubChem CID: 16218879

GRADE & PURITY ≥98%

Synonyms

NSC-186915 | LJ 226 | Thialysine hydrochloride | H-Cys(aminoethyl)-OH HCl | NSC 186915 | S-(2-Aminoethyl)-l-cysteine, HCl | Thialysine HCl | WPH5RH5BID | Thialysine (hydrochloride)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

NSC-186915 | LJ 226 | Thialysine hydrochloride | H-Cys(aminoethyl)-OH HCl | NSC 186915 | S-(2-Aminoethyl)-l-cysteine, HCl | Thialysine HCl | WPH5RH5BID | Thialysine (hydrochloride)

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

S-(2-Aminoethyl)-L-cysteine (AEC) hydrochloride is used as a lysine analogue for comparative analysis with other lysine analogues. S-(2-Aminoethyl)-L-cysteine is an alternative substrate useful for characterizing lysine cyclodeaminase from Streptomyces pr

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

≥98%

Names and Identifiers

• Pubchem Sid: 488199329
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199329
• Canonical Smiles: C(CSCC(C(=O)O)N)N.Cl
• IUPAC Name: (2R)-2-amino-3-(2-aminoethylsulfanyl)propanoic acid;hydrochloride
• InChIKey: CVHKULVNPGAEQM-WCCKRBBISA-N
• INCHI: 1S/C5H12N2O2S.ClH/c6-1-2-10-3-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m0./s1
• Isomeric SMILES: C(CSC[C@@H](C(=O)O)N)N.Cl
• PubChem CID: 16218879
• Molecular Weight: 200.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Cysteine and derivatives
              • Level8 L-cysteine-S-conjugates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Cysteine and derivatives
• Direct Parent: L-cysteine-S-conjugates
• Alternative Parents: L-alpha-amino acids Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-cysteine-s-conjugate - Alpha-amino acid - L-alpha-amino acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Organic salt - Organic zwitterion - Carbonyl group - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Organic chloride salt - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as l-cysteine-s-conjugates. These are compounds containing L-cysteine where the thio-group is conjugated.
• 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: 200.690 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 200.039 Da
• Monoisotopic Mass: 200.039 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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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