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3'-MERCAPTOACETAMINOPHEN

3'-MERCAPTOACETAMINOPHEN structure

CAS No:
99533-99-0
Formula:
C8H9NO2S
Chemical Name:
3'-MERCAPTOACETAMINOPHEN
Synonyms:
N-(4-hydroxy-3-sulfanylphenyl)acetamide;3'-MERCAPTOACETAMINOPHEN;N-(4-Hydroxy-3-mercaptophenyl)acetamide;Acetamide, N-(4-hydroxy-3-mercaptophenyl)-

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3'-MERCAPTOACETAMINOPHEN Basic Attributes

Molecular Weight：

183.23

Exact Mass：

183.03539970

DSSTox ID：

DTXSID00652629

Characteristics

Density：

1.371±0.06 g/cm3

Boiling Point：

407.6±40.0 °C(Predicted)

PKA：

6.44±0.48

3'-MERCAPTOACETAMINOPHEN Use and Manufacturing

A metabolite of Acetaminophen

Computed Properties

Molecular Weight:183.23
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:183.03539970
Monoisotopic Mass:183.03539970
Topological Polar Surface Area:50.3
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3'-MERCAPTOACETAMINOPHEN

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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