5789-24-2

Name PHENYLTHIOHYDANTOIN-TRYPTOPHAN
CAS 5789-24-2
EINECS(EC#) 227-323-1
Molecular Formula C18H15N3OS
MDL Number MFCD00038415
Molecular Weight 321.4
MOL File 5789-24-2.mol
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Chemical Properties

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 Data

WGK Germany  3
HS Code  2933.21.0000
Storage Class 13 - Non Combustible Solids

Spectrum Detail

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