Cas no 5652-32-4 (Alanine,3-(thiosulfeno)- (7CI,8CI,9CI))

Alanine,3-(thiosulfeno)- (7CI,8CI,9CI) structure
5652-32-4 structure
Product Name:Alanine,3-(thiosulfeno)- (7CI,8CI,9CI)
CAS No:5652-32-4
MF:C3H7NO2S2
MW:153.22317814827
CID:367960
PubChem ID:165331
Update Time:2025-04-19

Alanine,3-(thiosulfeno)- (7CI,8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Alanine,3-(thiosulfeno)- (7CI,8CI,9CI)
    • (2R)-2-amino-3-(disulfanyl)propanoic acid
    • (2S)-2-amino-3-disulfanyl-propanoic acid
    • L-Thiocysteine
    • Thiocysteine
    • CHEBI:28839
    • 3-disulfanyl-L-alanine
    • CSS
    • HY-115890
    • cysteine perthiol
    • DB02761
    • CS-0375613
    • 3-(Thiosulfeno)-L-alanine
    • S-MERCAPTOCYSTEINE
    • Q27093709
    • L-cysteine persulfide
    • C01962
    • NS00068859
    • 3RZ74WA9J2
    • 2-amino-3-hydrodisulfidopropanoic acid
    • 2-amino-3-hydropersulfidopropanoic acid
    • UNII-3RZ74WA9J2
    • DTXSID00205073
    • 2-amino-3-persulfhydrylpropanoic acid
    • cysteine persulfide
    • L-Alanine, 3-(thiosulfeno)-
    • 5652-32-4
    • 2-amino-3-disulfanylpropanoic acid
    • 3-(Thiosulfeno)alanine
    • S-sulfanylcysteine
    • (R)-2-amino-3-disulfanylpropanoic acid
    • 6165-31-7
    • Alanine, 3-(thiosulfeno)-
    • S-Mercapto-L-cysteine
    • 3-(thiosulfeno)-alanine
    • s-thiocystine
    • Inchi: 1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
    • InChI Key: XBKONSCREBSMCS-REOHCLBHSA-N
    • SMILES: S(C[C@@H](C(=O)O)N)S

Computed Properties

  • Exact Mass: 152.99191
  • Monoisotopic Mass: 152.99182081g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 87.4
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -2.6
  • Topological Polar Surface Area: 89.6?2

Experimental Properties

  • PSA: 63.32
  • LogP: -1.917
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