5-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid
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![5-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/01553614a1174928bc951a5c9406be41.png "5-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid")
5-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid
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CAS No:
32004-67-4
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Formula:
C20H17FO2S
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Chemical Name:
5-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid
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Synonyms:
1H-Indene-3-acetic acid,5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-;Indene-3-acetic acid,5-fluoro-2-methyl-1-[p-(methylthio)benzylidene]-;5-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid;5-Fluoro-2-methyl-1-(p-methylthiobenzylidene)-3-indenyl acetic acid
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CAS No:
5-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid Basic Attributes
340.41
340.41
250-892-2
Characteristics
62.60000
5.35000
Yellow-orange solid
1.30±0.1 g/cm3
189-191°C
526.3±50.0 °C(Predicted)
272.1ºC
1.653
4.26±0.10
Safety Information
3
22-42/43-63
Xn
P261; P280; P342 + P311
H302; H317; H334; H361
|Danger|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P272, P280, P281, P285, P301+P312, P302+P352, P304+P341, P308+P313, P321, P330, P333+P313, P342+P311, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid Use and Manufacturing
An active metabolite of Sulindac. Inhibits cyclooxygenase, but induces apoptosis by a cyclooxygenase-independent mechanism. Inhibition of Ras activation of Ref-1. Impairs nucleotide exchange on Ras by CDC25 and accelerates Ras hydrolysis of GTP b
Computed Properties
Molecular Weight:340.4
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:340.09332912
Monoisotopic Mass:340.09332912
Topological Polar Surface Area:62.6
Heavy Atom Count:24
Complexity:546
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 5-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid
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