3-(Trifluoromethyl)pyridine-2-thiol - CAS 104040-74-6
Catalog: |
BB001311 |
Product Name: |
3-(Trifluoromethyl)pyridine-2-thiol |
CAS: |
104040-74-6 |
Synonyms: |
3-(trifluoromethyl)-1H-pyridine-2-thione |
IUPAC Name: | 3-(trifluoromethyl)-1H-pyridine-2-thione |
Description: | 3-(Trifluoromethyl)pyridine-2-thiol (CAS# 104040-74-6) is a reagent used in synthesis of Flazasulfuron-d6. Flazasulfuron, is a Trifluoro-pyridine derivative acting as a pesticide. |
Molecular Weight: | 179.16 |
Molecular Formula: | C6H4F3NS |
Canonical SMILES: | C1=CNC(=S)C(=C1)C(F)(F)F |
InChI: | InChI=1S/C6H4F3NS/c7-6(8,9)4-2-1-3-10-5(4)11/h1-3H,(H,10,11) |
InChI Key: | ACGSRAAAQJSWLC-UHFFFAOYSA-N |
Boiling Point: | 180.2 °C at 760 mmHg |
Density: | 1.858 g/cm3 |
Appearance: | White to yellow and beige to brown powder of crystals |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00178749 |
LogP: | 2.38910 |
GHS Hazard Statement: | H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019152679-A1 | Biocatalyst and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds | 20180131 |
AU-2019215050-A1 | Biocatalyst and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds | 20180131 |
CN-111699248-A | Biocatalysts and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds | 20180131 |
EP-3746551-A1 | Biocatalyst and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds | 20180131 |
IL-276404-D0 | Bictalist and methods for the synthesis of mixed disulfide conjugates of thianopyridine substances | 20180131 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.00165479 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.00165479 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Pyridines
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