(2S,4R)-4-sulfanylpyrrolidine-2-carboxylic acid hydrochloride - ≥97% , CAS No.1067189-36-9

CAS: 1067189-36-9 Cat. No.: S626736 PubChem CID: 53487024

GRADE & PURITY ≥97%

Synonyms

P17325 | (4R)-4-mercapto-L-proline hydrochloride | AS-53949 | (4R)-4-Sulfanyl-L-proline--hydrogen chloride (1/1) | (4R)-4-Sulfanyl-L-proline hydrochloride (1:1) | AKOS015848622 | (2S,4R)-4-Sulfanylpyrrolidine-2-carboxylic acid HCl | L-Proline, 4-mercapto-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

P17325 | (4R)-4-mercapto-L-proline hydrochloride | AS-53949 | (4R)-4-Sulfanyl-L-proline--hydrogen chloride (1/1) | (4R)-4-Sulfanyl-L-proline hydrochloride (1:1) | AKOS015848622 | (2S, 4R)-4-Sulfanylpyrrolidine-2-carboxylic acid HCl | L-Proline, 4-mercapto-

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: C1C(CNC1C(=O)O)S.Cl
• IUPAC Name: (2S,4R)-4-sulfanylpyrrolidine-2-carboxylic acid;hydrochloride
• InChIKey: OBUGHYLMLADJFK-HJXLNUONSA-N
• INCHI: 1S/C5H9NO2S.ClH/c7-5(8)4-1-3(9)2-6-4;/h3-4,6,9H,1-2H2,(H,7,8);1H/t3-,4+;/m1./s1
• Isomeric SMILES: C1[C@H](CN[C@@H]1C(=O)O)S.Cl
• Alternate CAS: 1067189-36-9
• PubChem CID: 53487024

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 Proline and derivatives

• 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
• Direct Parent: Proline and derivatives
• Alternative Parents: L-alpha-amino acids Pyrrolidine carboxylic acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Alkylthiols Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid - L-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Amino acid - Alkylthiol - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxide - Carbonyl group - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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: 183.660 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 183.012 Da
• Monoisotopic Mass: 183.012 Da
• Topological Polar Surface Area: 50.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 128.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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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