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S-Phenylmercapturic Acid
[CAS# 4775-80-8]

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Identification
Classification Analytical chemistry >> Standard >> Forensic and veterinary standards
Name S-Phenylmercapturic Acid
Synonyms 2-Acetamido-3-Phenylsulfanyl-Propanoic Acid; 2-Acetamido-3-(Phenylthio)Propanoic Acid; 2-Acetamido-3-(Phenylthio)Propionic Acid
Molecular Structure CAS#: 4775-80-8, S-Phenylmercapturic Acid
Molecular Formula C11H13NO3S
Molecular Weight 239.29
CAS Registry Number 4775-80-8
SMILES C1=C(SCC(NC(C)=O)C(O)=O)C=CC=C1
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)
InChIKey CICOZWHZVMOPJS-UHFFFAOYSA-N
Properties
Density 1.284g/cm3 (Cal.)
Melting point 155°C (Expl.)
Boiling point 494.518°C at 760 mmHg (Cal.)
Flash point 252.875°C (Cal.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for S-Phenylmercapturic Acid
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