S-Phenylmercapturic acid Structure

S-Phenylmercapturic acid

Chemical Properties

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)
pka 3.25±0.10(Predicted)
form  Solid
color  Off-White to Pale Yellow
optical activity [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
FDA UNII 74XI8247P0
EPA Substance Registry System L-Cysteine, N-acetyl-S-phenyl- (4775-80-8)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
WGK Germany  3
Storage Class 11 - Combustible Solids
NFPA 704:
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