ChemicalBook--->CAS DataBase List--->4775-80-8

4775-80-8

4775-80-8 Structure

4775-80-8 Structure
IdentificationBack Directory
[Name]

S-PHENYLMERCAPTURIC ACID
[CAS]

4775-80-8
[Synonyms]

S-PHENYLMERCAPTURIC ACID
S-phenyl-N-acetylcysteine
N-ACETYL-S-PHENYL-L-CYSTEINE
N-Acetyl-3-(phenylthio)alanine, NSC 17197
(R)-2-acetaMido-3-(phenylthio)propanoic acid
[Molecular Formula]

C10H13NO2S
[MDL Number]

MFCD00066898
[MOL File]

4775-80-8.mol
[Molecular Weight]

211.28
Chemical PropertiesBack Directory
[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)
Hazard InformationBack Directory
[Chemical Properties]

Off-White Crystalline Solid
[Uses]

An important metabolite of Benzene
[storage]

Store at -20°C
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

S-PHENYLMERCAPTURIC ACID(4775-80-8)1HNMR
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