Cas no 144889-51-0 (L-Cysteine,N-acetyl-S-[1-(hydroxymethyl)-2-propen-1-yl]-)

L-Cysteine,N-acetyl-S-[1-(hydroxymethyl)-2-propen-1-yl]- structure
144889-51-0 structure
Product Name:L-Cysteine,N-acetyl-S-[1-(hydroxymethyl)-2-propen-1-yl]-
CAS No:144889-51-0
MF:C9H15NO4S
MW:233.28470158577
CID:158521
PubChem ID:3081303
Update Time:2025-04-19

L-Cysteine,N-acetyl-S-[1-(hydroxymethyl)-2-propen-1-yl]- Chemical and Physical Properties

Names and Identifiers

    • L-Cysteine,N-acetyl-S-[1-(hydroxymethyl)-2-propen-1-yl]-
    • (2R)-2-acetamido-3-(1-hydroxybut-3-en-2-ylsulfanyl)propanoic acid
    • 1-hydroxy-2-(N-acetylcysteinyl)-3-butene
    • N-acetyl-S-[1-(hydroxymethyl)prop-2-en-1-yl]-L-cysteine
    • DTXSID70932440
    • CHEBI:165875
    • n-acetyl-s-(1-hydroxymethyl-2-propenyl)-l-cysteine
    • S-(1-Hydroxybut-3-en-2-yl)-N-(1-hydroxyethylidene)cysteine
    • N-Acetyl-S-(1-(hydroxymethyl)-2-propenyl)-L-cysteine
    • L-Cysteine, N-acetyl-S-(1-(hydroxymethyl)-2-propenyl)-
    • 1-Hydroxy-2-(N-acetylcysteinyl-S-)-3-butene
    • N-Acetyl-S-(1-hydroxymethyl-2-propenyl)-cysteine
    • 1-Hacb
    • 2-(N-acetyl-l-cysteine-S-yl)-1-hydroxybut-3-ene
    • (2R)-2-acetamido-3-(1-hydroxybut-3-en-2-ylsulanyl)propanoic acid
    • (2R)-2-acetamido-3-[1-(hydroxymethyl)allylsulfanyl]propanoic acid
    • 144889-51-0
    • Inchi: 1S/C9H15NO4S/c1-3-7(4-11)15-5-8(9(13)14)10-6(2)12/h3,7-8,11H,1,4-5H2,2H3,(H,10,12)(H,13,14)/t7?,8-/m0/s1
    • InChI Key: CVFXMLXLNNEEJM-MQWKRIRWSA-N
    • SMILES: S(C(C=C)CO)C[C@@H](C(=O)O)NC(C)=O

Computed Properties

  • Exact Mass: 233.07225
  • Monoisotopic Mass: 233.072
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 244
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.2
  • Topological Polar Surface Area: 112?2

Experimental Properties

  • Density: 1.261
  • Boiling Point: 537.9°Cat760mmHg
  • Flash Point: 279.1°C
  • Refractive Index: 1.54
  • PSA: 86.63
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