ChemicalBook--->CAS DataBase List--->5789-24-2

5789-24-2

5789-24-2 Structure

5789-24-2 Structure
IdentificationBack Directory
[Name]

PHENYLTHIOHYDANTOIN-TRYPTOPHAN
[CAS]

5789-24-2
[Synonyms]

PTH-TRYPTOPHAN
PTH-DL-TRYPTOPHAN
PTH-DL-tryptophan Standard
PHENYLTHIOHYDANTOIN-TRYPTOPHAN
Thenylthiohydantoin-tryptophan
Phenylthiohydantoin-tryptophan>
D,L-trypthphan N-phenylthiohydantoin
PHENYLTHIOHYDANTOIN-TRYPTOPHAN USP/EP/BP
5-(3-INDOLYLMETHYL)-3-PHENYL-2-THIOHYDANTOIN
PTH-DL-Tryptophan Phenylthiohydantoin-DL-tryptophan
5-(1H-indol-3-ylmethyl)-3-phenyl-2-thioxoimidazolidin-4-one
5-(3-Indolylmethyl)-3-phenyl-2-thiohydantoin PTH-tryptophan
4-Imidazolidinone, 5-(1H-indol-3-ylmethyl)-3-phenyl-2-thioxo-
5-(1H-indol-3-ylmethyl)-3-phenyl-2-sulfanylidene-4-imidazolidinone
[EINECS(EC#)]

227-323-1
[Molecular Formula]

C18H15N3OS
[MDL Number]

MFCD00038415
[MOL File]

5789-24-2.mol
[Molecular Weight]

321.4
Chemical PropertiesBack Directory
[Melting point ]

183 °C
[Boiling point ]

517.8±42.0 °C(Predicted)
[density ]

1.41±0.1 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

almost transparency in Methanol
[form ]

powder to crystal
[pka]

11.12±0.40(Predicted)
[color ]

Light yellow to Yellow to Orange
[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)
[InChIKey]

KZXRWWVROVHSPI-UHFFFAOYSA-N
[SMILES]

O=C1C(Cc2c[nH]c3ccccc23)NC(=S)N1c4ccccc4
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2933.21.0000
[Storage Class]

13 - Non Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

PHENYLTHIOHYDANTOIN-TRYPTOPHAN(5789-24-2)1HNMR
PHENYLTHIOHYDANTOIN-TRYPTOPHAN(5789-24-2)13CNMR
PHENYLTHIOHYDANTOIN-TRYPTOPHAN(5789-24-2)IR1
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