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Benzoicacid,2-amino-5-(methylthio)-

Benzoicacid,2-amino-5-(methylthio)- structure

CAS No:
76745-74-9
Formula:
C8H9NO2S
Chemical Name:
Benzoicacid,2-amino-5-(methylthio)-
Synonyms:
Benzoic acid, 2-amino-5-(methylthio)-

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Benzoicacid,2-amino-5-(methylthio)- Basic Attributes

Molecular Weight：

183.23

Exact Mass：

183.03539970

DSSTox ID：

DTXSID60507722

Characteristics

PSA：

88.62000

XLogP3：

2.27010

Density：

1.36±0.1 g/cm3

Melting Point：

145-150 °C

Boiling Point：

378.9±32.0 °C(Predicted)

PKA：

2.05±0.10

Computed Properties

Molecular Weight:183.23
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:183.03539970
Monoisotopic Mass:183.03539970
Topological Polar Surface Area:88.6
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoicacid,2-amino-5-(methylthio)-

Basic Attributes
Characteristics
Computed Properties

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