5-(Trifluoromethyl)pyridine-2-thiol - CAS 76041-72-0
Catalog: |
BB035482 |
Product Name: |
5-(Trifluoromethyl)pyridine-2-thiol |
CAS: |
76041-72-0 |
Synonyms: |
5-(trifluoromethyl)-1H-pyridine-2-thione |
IUPAC Name: | 5-(trifluoromethyl)-1H-pyridine-2-thione |
Description: | Reactant used to synthesize anti-tumor agents and HIV protease inhibitors. |
Molecular Weight: | 179.16 |
Molecular Formula: | C6H4F3NS |
Canonical SMILES: | C1=CC(=S)NC=C1C(F)(F)F |
InChI: | InChI=1S/C6H4F3NS/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11) |
InChI Key: | YFSCXLSUZZXNHW-UHFFFAOYSA-N |
Boiling Point: | 252.7 ℃ at 760 mmHg |
Melting Point: | 159 ℃ |
Purity: | 95 % |
Density: | 1.876 g/cm3 |
Appearance: | Yellow crystalline solid |
MDL: | MFCD00128893 |
LogP: | 2.38910 |
GHS Hazard Statement: | H315 (97.62%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112110851-A | Copper-based hybrid red luminescent semiconductor material and application of light conversion film | 20200928 |
WO-2021099522-A1 | Methods for coupling a ligand to a composite material | 20191121 |
CN-110491999-A | A kind of method of modifying of organic solar batteries electron transfer layer | 20190827 |
US-2020343562-A1 | Surface modified platinum or platinum alloy catalyst for oxygen reduction reaction | 20190424 |
JP-2020111539-A | Fused heterocyclic compound and pest control agent | 20190111 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Related Functional Groups
Pyridines
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