| CAS Number | 6090-37-5 |
| Catalog Number | AG00EDAD(AGN-PC-07AANH) |
| Chemical Name | Pyrimidine, 5-fluoro-2-(methylthio)- (7CI,8CI) |
| IUPAC Name | 5-fluoro-2-methylsulfanylpyrimidine |
| InChI | InChI=1S/C5H5FN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3 |
| InChI Key | WEAVCBHOSOOGMZ-UHFFFAOYSA-N |
| MDL Number | MFCD11858599 |
| Molecular Formula | C5H5FN2S |
| Molecular Weight | 144.1700 |
| SMILES | CSC1=NC=C(F)C=N1 |
| Synonyms | 5-FLUORO-2-(METHYLTHIO)PYRIMIDINE,
6090-37-5,
5-Fluoro-2-(methylsulfanyl)pyrimidine,
C5H5FN2S,
Pyrimidine, 5-fluoro-2-(methylthio)- (7CI,8CI),
2-methylthio-5-fluoropyrimidine,
SCHEMBL13999056,
CTK8F6839,
DTXSID60664001,
WEAVCBHOSOOGMZ-UHFFFAOYSA-N,
5-fluoro-2-methylsulfanyl-pyrimidine,
ZINC30677905,
C-2336,
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| Complexity | 83 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.167g/mol |
| Monoisotopic Mass | 144.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number