L-Homocysteine thiolactone hydrochloride - ≥95% , CAS No.31828-68-9

CAS: 31828-68-9 Cat. No.: S169532 Peso molecular: 153.63 Beilstein Registry Number: 3911460

GRADE & PURITY ≥95%

Synonyms

L-homocysteine thiolactone HCl | (S)-3-Aminodihydrothiophen-2(3H)-one HCl | (S)-3-Aminodihydrothiophen-2(3H)-one hydrochloride | A919235 | BS-10109 | DTXSID60953745 | HOMOCYSTEINE THIOLACTONE HYDROCHLORIDE, (+)- | DTXSID70323339 | L-2-Amino-4-mercaptobuty

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

L-homocysteine thiolactone HCl | (S)-3-Aminodihydrothiophen-2(3H)-one HCl | (S)-3-Aminodihydrothiophen-2(3H)-one hydrochloride | A919235 | BS-10109 | DTXSID60953745 | HOMOCYSTEINE THIOLACTONE HYDROCHLORIDE, (+)- | DTXSID70323339 | L-2-Amino-4-mercaptobuty

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488196623
• Sonrisas canónicas: C1CSC(=O)C1N.Cl
• IUPAC Name: (3S)-3-aminothiolan-2-one;hydrochloride
• InChIKey: ZSEGSUBKDDEALH-DFWYDOINSA-N
• INCHI: 1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1
• Isómeros SMILES: C1CSC(=O)[C@H]1N.Cl
• WGK Alemania: 3
• Peso molecular: 153.63
• Beilstein: 3911460
• Reaxy-Rn: 3562103
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3562103&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Thiolanes Carbothioic S-lactones Thiolactones Thioesters Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Thiolane - Carbothioic s-lactone - Thiocarboxylic acid ester - Thiolactone - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Hydrochloride - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 185 °C
• Peso molecular: 153.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 153.002 Da
• Monoisotopic Mass: 153.002 Da
• Topological Polar Surface Area: 68.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 93.700
• 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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