Cas no 74514-75-3 (L-Cysteine,N-acetyl-S-(2-cyanoethyl)-)

L-Cysteine, N-acetyl-S-(2-cyanoethyl)-, is a modified derivative of the amino acid L-cysteine, featuring an N-acetyl group and a 2-cyanoethyl thioether substitution. This compound is primarily utilized in biochemical research and pharmaceutical applications due to its enhanced stability and reactivity compared to native cysteine. The N-acetyl group improves solubility and metabolic resistance, while the 2-cyanoethyl moiety offers a versatile handle for further chemical modifications, such as conjugation or crosslinking. Its precise structure makes it valuable in peptide synthesis, protein engineering, and as a precursor for specialized reagents. The compound is handled under controlled conditions due to its reactive functional groups.
L-Cysteine,N-acetyl-S-(2-cyanoethyl)- structure
74514-75-3 structure
Product Name:L-Cysteine,N-acetyl-S-(2-cyanoethyl)-
CAS No:74514-75-3
MF:C8H12N2O3S
MW:216.257480621338
CID:563504
PubChem ID:114812
Update Time:2025-10-19

L-Cysteine,N-acetyl-S-(2-cyanoethyl)- Chemical and Physical Properties

Names and Identifiers

    • L-Cysteine,N-acetyl-S-(2-cyanoethyl)-
    • N-Acetyl-S-(2-cyanoethyl)-L-cysteine
    • N-Acetyl-S-(2-cyanoethyl)cysteine
    • N-ACETYL-S-CYANOETHYL-CYSTEINE
    • S-(2-Cyanoethyl)mercapturic Acid
    • n -acetyl-S-(2-cyanoethyl)-l-cysteine
    • N-Acetyl-S-(2-cyanoethyl)cysteine Ammonium Salt
    • N-Acetyl-S-(2-cyanoethyl)-cysteine
    • DISCONTINUED. Please see A172083
    • Q710T40465
    • (2R)-2-acetamido-3-(2-cyanoethylsulfanyl)propanoic acid
    • CHEBI:165879
    • (2R)-2-acetamido-3-(2-cyanoethylsulanyl)propanoic acid
    • L-Cysteine, N-acetyl-S-(2-cyanoethyl)-
    • Q27287069
    • 74514-75-3
    • S-Cyanoethylmercapturic acid
    • AKOS030240840
    • NASCS
    • DTXSID70996027
    • S-(2-Cyanoethyl)-N-(1-hydroxyethylidene)cysteine
    • UNII-Q710T40465
    • S-(2-Cyanoethyl)mercapturic Acid Ammonium Salt
    • Inchi: 1S/C8H12N2O3S/c1-6(11)10-7(8(12)13)5-14-4-2-3-9/h7H,2,4-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
    • InChI Key: VDKVYEUEJCNDHM-ZETCQYMHSA-N
    • SMILES: S(CCC#N)C[C@@H](C(=O)O)NC(C)=O

Computed Properties

  • Exact Mass: 216.05700
  • Monoisotopic Mass: 216.057
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 259
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 116A^2
  • XLogP3: -0.5

Experimental Properties

  • Color/Form: White crystalline solid
  • Density: 1.28
  • Melting Point: 102-1040C
  • Boiling Point: 543.8°C at 760 mmHg
  • Flash Point: 282.7°C
  • Refractive Index: 1.53
  • PSA: 115.49000
  • LogP: 0.61348

L-Cysteine,N-acetyl-S-(2-cyanoethyl)- Pricemore >>

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