| CAS Number | 944317-70-8 |
| Catalog Number | AG00II5R(AGN-PC-0WG3ZG) |
| Chemical Name | (5-Bromo-2-(methylthio)pyrimidin-4-yl)methanol |
| IUPAC Name | (5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol |
| InChI | InChI=1S/C6H7BrN2OS/c1-11-6-8-2-4(7)5(3-10)9-6/h2,10H,3H2,1H3 |
| InChI Key | FTRLNWHDSFOBEJ-UHFFFAOYSA-N |
| MDL Number | MFCD18452144 |
| Molecular Formula | C6H7BrN2OS |
| Molecular Weight | 235.1016 |
| SMILES | BrC=1C(=NC(=NC1)SC)CO |
| Synonyms | (5-bromo-2-(methylthio)pyrimidin-4-yl)methanol,
944317-70-8,
[5-Bromo-2-(methylthio)pyrimidin-4-yl]methanol,
[5-bromo-2-(methylsulfanyl)pyrimidin-4-yl]methanol,
SCHEMBL1506526,
FTRLNWHDSFOBEJ-UHFFFAOYSA-N,
MFCD18452144,
ZINC72233135,
AKOS015969390,
AK206739,
AS-54880,
DA-00503,
CS-0037707,
FT-0735552,
4-Pyrimidinemethanol, 5-bromo-2-(methylthio)-,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.099g/mol |
| Monoisotopic Mass | 233.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number