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2-[(3-phenylpropyl)thio]benzoicacid

2-[(3-phenylpropyl)thio]benzoicacid structure

CAS No:
366801-27-6
Formula:
C16H16O2S
Chemical Name:
2-[(3-phenylpropyl)thio]benzoicacid
Synonyms:
2-[(3-phenylpropyl)thio]benzoic acid;benzoic acid, 2-[(3-phenylpropyl)thio]-;STK288473

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2-[(3-phenylpropyl)thio]benzoicacid Basic Attributes

Molecular Weight：

272.36

Exact Mass：

272.08710092

Characteristics

Density：

1.21±0.1 g/cm3

Boiling Point：

436.0±38.0 °C(Predicted)

PKA：

3.53±0.36

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:272.4
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:272.08710092
Monoisotopic Mass:272.08710092
Topological Polar Surface Area:62.6
Heavy Atom Count:19
Complexity:274
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(3-phenylpropyl)thio]benzoicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties

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