| CAS Number | 865663-90-7 |
| Catalog Number | AG01BCYN(AGN-PC-0V6OVV) |
| Chemical Name | 3-Fluoro-1,2-dihydropyridine-2-thione |
| IUPAC Name | 3-fluoro-1H-pyridine-2-thione |
| InChI | InChI=1S/C5H4FNS/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8) |
| InChI Key | CXOVSPPEBNMIGI-UHFFFAOYSA-N |
| MDL Number | MFCD13175592 |
| Molecular Formula | C5H4FNS |
| Molecular Weight | 129.1554 |
| SMILES | FC1C(=S)NC=CC=1 |
| Synonyms | 865663-90-7,
2(1H)-PYRIDINETHIONE, 3-FLUORO-,
3-fluoro-1,2-dihydropyridine-2-thione,
3-Fluoropyridine-2-thol,
3-Fluoro-2-mercaptopyridine,
SCHEMBL2642832,
3-Fluoro-2(1H)-pyridinethione,
3-Fluoropyridine-2(1H)-thione,
DTXSID40631130,
MFCD16859314,
ZINC54700332,
AKOS012026614,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.152g/mol |
| Monoisotopic Mass | 129.005g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number