Cas no 796073-77-3 ((4R)-4-sulfanylpentanoic acid)

(4R)-4-sulfanylpentanoic acid structure
(4R)-4-sulfanylpentanoic acid structure
Product Name:(4R)-4-sulfanylpentanoic acid
CAS No:796073-77-3
MF:C5H10O2S
MW:134.196700572968
CID:6380391
PubChem ID:87287030
Update Time:2023-12-15

(4R)-4-sulfanylpentanoic acid Chemical and Physical Properties

Names and Identifiers

    • (4R)-4-sulfanylpentanoic acid
    • Pentanoic acid, 4-mercapto-, (4R)-
    • SCHEMBL1752169
    • 796073-77-3
    • EN300-7051203
    • Inchi: 1S/C5H10O2S/c1-4(8)2-3-5(6)7/h4,8H,2-3H2,1H3,(H,6,7)/t4-/m1/s1
    • InChI Key: NEAFWRKPYYJETG-SCSAIBSYSA-N
    • SMILES: C(O)(=O)CC[C@H](S)C

Computed Properties

  • Exact Mass: 134.04015073g/mol
  • Monoisotopic Mass: 134.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 82.5
  • 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
  • XLogP3: 0.8
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • Density: 1.117±0.06 g/cm3(Predicted)
  • Boiling Point: 256.1±23.0 °C(Predicted)
  • pka: 4.59±0.10(Predicted)

(4R)-4-sulfanylpentanoic acid Pricemore >>

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