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1H-Thieno[3,4-d]imidazole-4-butanoicacid, hexahydro-2-oxo-, (3aS,4S,6aR)- | 669-72-7

Product name:1H-Thieno[3,4-d]imidazole-4-butanoicacid, hexahydro-2-oxo-, (3aS,4S,6aR)-

CAS No:669-72-7
MF:C9H14N2O3S
MW:230.28406
CID:522576
PubChem ID:446903
Names and Identifiers
  • 1H-Thieno[3,4-d]imidazole-4-butanoicacid, hexahydro-2-oxo-, (3aS,4S,6aR)-
  • 4-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butanoic acid
  • 1H-Thieno[3,4-d]imidazole-4-butanoicacid, hexahydro-2-oxo-, [3aS-(3aa,4b,6aa)]-
  • 1H-Thieno[3,4-d]imidazole-4-butyric acid,hexahydro-2-oxo- (8CI)
  • Norbiotin
  • NORBIOTIN
  • NORBIOTIN
  • 669-72-7
  • 669-72-7
  • 4-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]butanoic acid
  • 4-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]butanoic acid
  • SCHEMBL16379530
  • SCHEMBL16379530
  • 4-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Butyricacid
  • 4-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Butyricacid
  • NS00070064
  • NS00070064
  • 4-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID
  • 4-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID
  • DTXSID40332236
  • DTXSID40332236
  • Q27093623
  • Q27093623
  • DB02674
  • DB02674
  • InChIKey:AINAXQHKYSZESH-HAFWLYHUSA-N
  • Inchi:InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1
  • SMILES:C1C2C(C(S1)CCCC(=O)O)NC(=O)N2
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 230.07262
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Rotatable Bond Count: 4
  • Monoisotopic Mass: 230.073
  • Heavy Atom Count: 15
  • Complexity: 285
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 0
  • Topological Polar Surface Area: 104Ų

Experimental Properties

  • PSA: 78.43
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