Cas no 4333-19-1 (Phenylthiohydantoin-alanine)

Phenylthiohydantoin-alanine structure
Phenylthiohydantoin-alanine structure
Product Name:Phenylthiohydantoin-alanine
CAS No:4333-19-1
MF:C10H10N2OS
MW:206.2642
MDL:MFCD06858229
CID:928898
PubChem ID:87574590
Update Time:2025-09-24

Phenylthiohydantoin-alanine Chemical and Physical Properties

Names and Identifiers

    • phenylthiohydantoin-dl-alanine
    • 5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
    • PHENYLTHIOHYDANTOIN-ALANINE
    • 5-Methyl-3-phenyl-2-thiohydantoin
    • PTH-alanine
    • 5-Methyl-3-phenyl-2-thioxoimidazolidin-4-one
    • Alanine phenylthiohydantoin
    • 3-Phenyl-5-methyl-2-thioguidanthion
    • Hydantoin, 5-methyl-3-phenyl-2-thio-
    • 4-Imidazolidinone, 5-methyl-3-phenyl-2-thioxo-
    • XGPFPXALZVOKRI-UHFFFAOYSA-N
    • STK833039
    • ST45021468
    • P0374
    • 5-Methyl-3-phenyl-2-thioxo-imidazolidin-4-one
    • 5-Methyl-3-phe
    • 5-Methy
    • 5-Methyl-3-phenyl-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
    • DTXSID80962990
    • DB-051067
    • CS-0360821
    • D91956
    • 5-Methyl-3-phenyl-2-thioxo-4-imidazolidinone #
    • NS00045134
    • AKOS005623504
    • EINECS 224-373-6
    • SCHEMBL10785110
    • 4333-19-1
    • Phenylthiohydantoin-alanine
    • MDL: MFCD06858229
    • Inchi: 1S/C10H10N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)
    • InChI Key: XGPFPXALZVOKRI-UHFFFAOYSA-N
    • SMILES: S=C1N([H])C([H])(C([H])([H])[H])C(N1C1C([H])=C([H])C([H])=C([H])C=1[H])=O

Computed Properties

  • Exact Mass: 206.05100
  • Monoisotopic Mass: 206.051
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 261
  • 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: 1.7
  • Topological Polar Surface Area: 64.4

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1.33
  • Melting Point: 184.0 to 188.0 deg-C
  • Boiling Point: 298.1°C at 760 mmHg
  • Flash Point: 134.1°C
  • Refractive Index: 1.674
  • PSA: 64.43000
  • LogP: 1.69000
  • Solubility: Uncertain

Phenylthiohydantoin-alanine Security Information

  • Symbol: GHS06
  • Prompt:dangerous
  • Hazard Statement: H301
  • Warning Statement: P264-P270-P301+P310+P330-P405-P501
  • Hazardous Material transportation number:UN 2811 6.1/PG 3
  • WGK Germany:3
  • Hazard Category Code: 23/24/25
  • Safety Instruction: S36/37/39-S45
  • RTECS:MU2628000
  • Hazardous Material Identification: T
  • PackingGroup:III
  • Risk Phrases:R23/24/25
  • Storage Condition:?20°C

Phenylthiohydantoin-alanine Pricemore >>

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