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2-[[4-(Trifluoromethyl)phenyl]thio]acetic Acid

2-[[4-(Trifluoromethyl)phenyl]thio]acetic Acid - CAS 102582-93-4

Catalog:	BB000899
Product Name:	2-[[4-(Trifluoromethyl)phenyl]thio]acetic Acid
CAS:	102582-93-4
Synonyms:	2-[[4-(trifluoromethyl)phenyl]thio]acetic acid; 2-[4-(trifluoromethyl)phenyl]sulfanylacetic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-[4-(trifluoromethyl)phenyl]sulfanylacetic acid
Description:	2-[[4-(Trifluoromethyl)phenyl]thio]acetic Acid (CAS# 102582-93-4) is a useful research chemical.
Molecular Weight:	236.21
Molecular Formula:	C9H7F3O2S
Canonical SMILES:	C1=CC(=CC=C1C(F)(F)F)SCC(=O)O
InChI:	InChI=1S/C9H7F3O2S/c10-9(11,12)6-1-3-7(4-2-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:	MBVVWIKWEHKYGF-UHFFFAOYSA-N
Boiling Point:	252.2 °C at 760 mmHg
Density:	1.44 g/cm³
Appearance:	White powder
MDL:	MFCD00236351
LogP:	2.88210

Publication Number	Title	Priority Date
US-2020131194-A1	Fms-like tyrosine kinase inhibitors	20180403
WO-2019191896-A1	Fms-like tyrosine kinase inhibitors	20180403
AU-2008291148-A1	Benzimidazole derivatives used as FXR agonists	20070827
AU-2008291148-B2	Benzimidazole derivatives used as FXR agonists	20070827
CA-2697167-A1	Benzimidazole derivatives used as fxr agonists	20070827

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea

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Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.01188512
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	236.01188512
Rotatable Bond Count:	3
Topological Polar Surface Area:	62.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8