4775-80-8

Name S-PHENYLMERCAPTURIC ACID
CAS 4775-80-8
Molecular Formula C10H13NO2S
MDL Number MFCD00066898
Molecular Weight 211.28
MOL File 4775-80-8.mol
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Chemical Properties

Appearance Off-White Crystalline Solid
Melting point  110-112°C
Boiling point  494.5±40.0 °C(Predicted)
density  1.28±0.1 g/cm3(Predicted)
storage temp.  -20?C Freezer
solubility  DMSO (Slightly), Ethanol (Sparingly), Methanol (Slightly)
form  neat
pka 3.25±0.10(Predicted)
color  Off-White to Pale Yellow
Optical Rotation [α]/D -25.0±2.0°, c = 1 in ethanol
Stability: Hygroscopic
Major Application clinical testing
InChI 1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKey CICOZWHZVMOPJS-JTQLQIEISA-N
SMILES CC(=O)N[C@@H](CSc1ccccc1)C(O)=O
EPA Substance Registry System L-Cysteine, N-acetyl-S-phenyl- (4775-80-8)

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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