S-(N-Benzylthiocarbamoyl)-L-cysteine - ≥98% , CAS No.35446-36-7

CAS: 35446-36-7 Cat. No.: S275624 Peso molecular: 270.37 PubChem CID: 3036951

GRADE & PURITY ≥98%

Synonyms

(2R)-2-amino-3-(benzylcarbamothioylsulfanyl)propanoic acid | SCHEMBL1157843 | (2R)-2-amino-3-[(benzylcarbamothioyl)sulfanyl]propanoic acid | (R)-2-amino-3-(benzylcarbamothioylthio)propanoic acid | L-Cysteine (Phenylmethyl)carbamodithioate | L-Cysteine, (p

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

(2R)-2-amino-3-(benzylcarbamothioylsulfanyl)propanoic acid | SCHEMBL1157843 | (2R)-2-amino-3-[(benzylcarbamothioyl)sulfanyl]propanoic acid | (R)-2-amino-3-(benzylcarbamothioylthio)propanoic acid | L-Cysteine (Phenylmethyl)carbamodithioate | L-Cysteine, (p

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)CNC(=S)SCC(C(=O)O)N
• IUPAC Name: (2R)-2-amino-3-(benzylcarbamothioylsulfanyl)propanoic acid
• InChIKey: RSTSYGXUDMJEFP-VIFPVBQESA-N
• INCHI: 1S/C11H14N2O2S2/c12-9(10(14)15)7-17-11(16)13-6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)CNC(=S)SC[C@@H](C(=O)O)N
• PubChem CID: 3036951
• Peso molecular: 270.37

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
            • Level7 Cysteine and derivatives
              • Level8 L-cysteine-S-conjugates

• 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 - Alpha amino acids and derivatives - Cysteine and derivatives
• Direct Parent: L-cysteine-S-conjugates
• Alternative Parents: L-alpha-amino acids Benzene and substituted derivatives Dithiocarbamic acid esters Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: L-cysteine-s-conjugate - Alpha-amino acid - L-alpha-amino acid - Monocyclic benzene moiety - Benzenoid - Dithiocarbamic acid ester - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Peso molecular: 270.400 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 270.05 Da
• Monoisotopic Mass: 270.05 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 268.000
• 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: 1