Cas no 81703-65-3 (1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-phenyl-3-thioxo-)

1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-phenyl-3-thioxo- structure
81703-65-3 structure
Product Name:1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-phenyl-3-thioxo-
CAS No:81703-65-3
MF:C12H12N2O2S
MW:248.300881385803
CID:708173
PubChem ID:585587
Update Time:2025-04-19

1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-phenyl-3-thioxo- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-phenyl-3-thioxo-
    • PTH-4-HYDROXYPROLINE
    • PTH-HYDROXYPROLINE
    • 6-Hydroxy-2-phenyl-3-thioxo-hexahydro-pyrrolo[1,2-c]imidazol-1-on
    • 6-hydroxy-2-phenyl-3-thioxo-hexahydro-pyrrolo[1,2-c]imidazol-1-one
    • Hexahydro-6-hydroxy-2-phenyl-3-thioxo-1H-pyrrolo[1,2-c]imidazol-1-one
    • PHENYLTHIOHYDANTOIN 4-HYDROXYPROLINE
    • PHENYLTHIOHYDANTOIN-HYDROXYPROLINE
    • PTH-HYDROXY-DL-PROLINE
    • CCG-18198
    • AKOS030487956
    • 7-HYDROXY-3-PHENYL-2-THIOXO-1,3-DIAZABICYCLO(3.3.0)OCTAN-4-ONE
    • SR-01000458673
    • 81703-65-3
    • FT-0641839
    • EU-0074428
    • 6-hydroxy-2-phenyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
    • 6-Hydroxy-2-phenyl-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
    • FVSSRXSXSBLAOD-UHFFFAOYSA-N
    • Oprea1_303905
    • SR-01000458673-1
    • STL524733
    • DB-056550
    • Inchi: 1S/C12H12N2O2S/c15-9-6-10-11(16)14(12(17)13(10)7-9)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2
    • InChI Key: FVSSRXSXSBLAOD-UHFFFAOYSA-N
    • SMILES: S=C1N(C2C=CC=CC=2)C(C2CC(CN21)O)=O

Computed Properties

  • Exact Mass: 248.06200
  • Monoisotopic Mass: 248.062
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 354
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 75.9?2

Experimental Properties

  • Density: 1.5
  • Boiling Point: 392.7°C at 760 mmHg
  • Flash Point: 191.3°C
  • Refractive Index: 1.744
  • PSA: 75.87000
  • LogP: 0.75620

1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-phenyl-3-thioxo- Security Information

  • WGK Germany:3
  • Storage Condition:?20°C

1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-phenyl-3-thioxo- Pricemore >>

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