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3,3,3-Trifluoro-3-[(2-tetrahydrothienyl)methyl]propionic acid

3,3,3-Trifluoro-3-[(2-tetrahydrothienyl)methyl]propionic acid - CAS 480438-83-3

Catalog:	BB026468
Product Name:	3,3,3-Trifluoro-3-[(2-tetrahydrothienyl)methyl]propionic acid
CAS:	480438-83-3
Synonyms:	3,3,3-trifluoro-2-(thiolan-2-ylmethyl)propanoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3,3,3-trifluoro-2-(thiolan-2-ylmethyl)propanoic acid
Description:	3,3,3-Trifluoro-3-[(2-tetrahydrothienyl)methyl]propionic acid (CAS# 480438-83-3 ) is a useful research chemical.
Molecular Weight:	228.23
Molecular Formula:	C8H11F3O2S
Canonical SMILES:	C1CC(SC1)CC(C(=O)O)C(F)(F)F
InChI:	InChI=1S/C8H11F3O2S/c9-8(10,11)6(7(12)13)4-5-2-1-3-14-5/h5-6H,1-4H2,(H,12,13)
InChI Key:	WZMDICHYPNRSDP-UHFFFAOYSA-N
Boiling Point:	235 °C (lit.)
Purity:	95 %
Density:	1.376 g/mL at 25 °C(lit.)
MDL:	MFCD03427208
LogP:	2.53520

Publication Number	Title	Priority Date
AU-2009219376-A1	Protein kinase inhibitors and use thereof	20080228
AU-2009219376-B2	Protein kinase inhibitors and use thereof	20080228
CA-2712990-A1	Benzonaphthyridinyl compounds as protein kinase inhibitors and use thereof	20080228
EP-2254889-A1	Protein kinase inhibitors and use thereof	20080228
EP-2254889-B1	Protein kinase inhibitors and use thereof	20080228

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Related Functional Groups

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Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.04318525
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.04318525
Rotatable Bond Count:	3
Topological Polar Surface Area:	62.6
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4