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Home > Encyclopedia > Phenylmercapturic acid

Phenylmercapturic acid

Phenylmercapturic acid structure

Phenylmercapturic acid 

structure
  • CAS No:

    4775-80-8

  • Formula:

    C11H13NO3S

  • Chemical Name:

    Phenylmercapturic acid

  • Synonyms:

    L-Cysteine,N-acetyl-S-phenyl-;Alanine,N-acetyl-3-(phenylthio)-;N-Acetyl-S-phenyl-L-cysteine;Phenylmercapturic acid;S-Phenylmercapturic acid;NSC 17197;(2R)-2-Acetamido-3-(phenylsulfanyl)propanoic acid;(R)-2-Acetamido-3-(phenylthio)propanoic acid

  • Categories:

    Analytical Chemistry  >  Standard

Description

Off-White Crystalline Solid

Phenylmercapturic acid Basic Attributes

211.28

239.29

74XI8247P0

2930909090

Characteristics

74.63000

1.84220

1.28±0.1 g/cm3(Predicted)

142 °C

494.5ºC at 760 mmHg

252.9ºC

-20°C Freezer

Safety Information

NONH for all modes of transport

3

Drug Information

2-acetamido-3-phenylthiopropanoic acid

Phenylmercapturic acid Use and Manufacturing

An important metabolite of Benzene

Computed Properties

Molecular Weight:239.29
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:239.06161445
Monoisotopic Mass:239.06161445
Topological Polar Surface Area:91.7
Heavy Atom Count:16
Complexity:252
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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