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5-(1-Carboxyethyl)-2-(phenylthio)phenylaceticacid

5-(1-Carboxyethyl)-2-(phenylthio)phenylaceticacid structure

CAS No:
83237-49-4
Formula:
C17H16O4S
Chemical Name:
5-(1-Carboxyethyl)-2-(phenylthio)phenylaceticacid
Synonyms:
5-(α-carboxyethyl)-2-phenylthio phenylacetic acid;5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid;5-(A-CARBOXY ETHYL)-2-PHENYL THIOPHENYL ACETICACID;5-(alpha-Carboxyethyl)-2-Phenylthio-Phenylacetic Acid;5-(-carboxyethyl)-2-phenylthio-phenylacetic acid (intermediate of zaltoprofen)

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Description

White powder

5-(1-Carboxyethyl)-2-(phenylthio)phenylaceticacid Basic Attributes

Molecular Weight：

316.37

Exact Mass：

316.076935

EC Number：

1312995-182-4

HScode：

2930909090

Characteristics

PSA：

99.90000

XLogP3：

3.37

Density：

1.3±0.1 g/cm3

Melting Point：

145-146 °C(Solv: 1,2-dichloroethane (107-06-2))

Boiling Point：

517.4±50.0 °C at 760 mmHg

Flash Point：

266.7±30.1 °C

Refractive Index：

1.653

Computed Properties

Molecular Weight:316.4
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:316.07693016
Monoisotopic Mass:316.07693016
Topological Polar Surface Area:99.9
Heavy Atom Count:22
Complexity:392
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(1-Carboxyethyl)-2-(phenylthio)phenylaceticacid

Description
Basic Attributes
Characteristics
Computed Properties

5-(1-Carboxyethyl)-2-(phenylthio)phenylaceticacid

SDS

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