Cas no 88096-02-0 (Pentanoic acid, 5-[(3-amino-3-carboxypropyl)thio]-)

Pentanoic acid, 5-[(3-amino-3-carboxypropyl)thio]- structure
88096-02-0 structure
Product Name:Pentanoic acid, 5-[(3-amino-3-carboxypropyl)thio]-
CAS No:88096-02-0
MF:C9H17NO4S
MW:235.300581693649
CID:645317
PubChem ID:3518587
Update Time:2025-10-28

Pentanoic acid, 5-[(3-amino-3-carboxypropyl)thio]- Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid, 5-[(3-amino-3-carboxypropyl)thio]-
    • 5-(3-amino-3-carboxypropyl)sulfanylpentanoic acid
    • 5-[(3-AMINO-3-CARBOXYPROPYL)SULFANYL]PENTANOIC ACID
    • (R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentanoic acid
    • BDBM50189917
    • CHEMBL211229
    • starbld0005187
    • DTXSID301007933
    • cbhcy
    • 88096-02-0
    • 5-(3-Amino-3-carboxypropyl)sulfanyl-pentanoic acid
    • 5-((3-Amino-3-carboxypropyl)thio)pentanoic acid
    • 5-(3-amino-3-carboxypropylthio)pentanoic acid
    • AKOS040746672
    • DTXSID00393247
    • Inchi： 1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)
    • InChI Key： BMONDXDFXRPNKQ-UHFFFAOYSA-N
    • SMILES： S(CCC(C(=O)O)N)CCCCC(=O)O

Computed Properties

  • Exact Mass: 235.08782920g/mol
  • Monoisotopic Mass: 235.08782920g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 9
  • Complexity: 210
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.7
  • Topological Polar Surface Area: 126?2

Pentanoic acid, 5-[(3-amino-3-carboxypropyl)thio]- Pricemore >>

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