Cas no 5789-24-2 (Phenylthiohydantoin-tryptophan)

Phenylthiohydantoin-tryptophan structure
5789-24-2 structure
Product Name:Phenylthiohydantoin-tryptophan
CAS No:5789-24-2
MF:C18H15N3OS
MW:321.396202325821
MDL:MFCD00038415
CID:373085
PubChem ID:87574594
Update Time:2025-04-19

Phenylthiohydantoin-tryptophan Chemical and Physical Properties

Names and Identifiers

    • 4-Imidazolidinone,5-(1H-indol-3-ylmethyl)-3-phenyl-2-thioxo-
    • Phenylthiohydantoin-tryptophan
    • 5-(3-Indolylmethyl)-3-phenyl-2-thiohydantoin
    • PTH-tryptophan
    • PTH-DL-tryptophan
    • 5-(1H-Indol-3-ylmethyl)-3-phenyl-2-thioxoimidazolidin-4-one
    • 4-Imidazolidinone, 5-(1H-indol-3-ylmethyl)-3-phenyl-2-thioxo-
    • NSC96436
    • CBMicro_035138
    • Tryptophan phenylthiohydantoin
    • Oprea1_185931
    • KZXRWWVROVHSPI-UHFFFAOYSA-N
    • STL168687
    • VA50502
    • P0378
    • A831664
    • SR-0
    • MDL: MFCD00038415
    • Inchi: 1S/C18H15N3OS/c22-17-16(10-12-11-19-15-9-5-4-8-14(12)15)20-18(23)21(17)13-6-2-1-3-7-13/h1-9,11,16,19H,10H2,(H,20,23)
    • InChI Key: KZXRWWVROVHSPI-UHFFFAOYSA-N
    • SMILES: S=C1N(C2C=CC=CC=2)C(C(CC2=CNC3C=CC=CC2=3)N1)=O

Computed Properties

  • Exact Mass: 321.09400
  • Monoisotopic Mass: 321.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 477
  • 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
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 3.4
  • Topological Polar Surface Area: 80.2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.156
  • Melting Point: 181.0 to 185.0 deg-C
  • Boiling Point: 538.8°Cat760mmHg
  • Flash Point: 236.1°C
  • Refractive Index: 1.767
  • PSA: 80.22000
  • LogP: 3.39410
  • Solubility: Not determined

Phenylthiohydantoin-tryptophan Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Storage Condition:?20°C

Phenylthiohydantoin-tryptophan Pricemore >>

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