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 |
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 |
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 |
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