| CAS Number | 1481616-19-6 |
| Catalog Number | AG00HXM6(AGN-PC-0WG3WN) |
| Chemical Name | (5-Bromo-2-(methylthio)pyrimidin-4-yl)methyl methanesulfonate |
| IUPAC Name | (5-bromo-2-methylsulfanylpyrimidin-4-yl)methyl methanesulfonate |
| InChI | InChI=1S/C7H9BrN2O3S2/c1-14-7-9-3-5(8)6(10-7)4-13-15(2,11)12/h3H,4H2,1-2H3 |
| InChI Key | YBYSZADVFSQWLH-UHFFFAOYSA-N |
| MDL Number | MFCD28347183 |
| Molecular Formula | C7H9BrN2O3S2 |
| Molecular Weight | 313.1920 |
| SMILES | CSC1=NC=C(Br)C(COS(C)(=O)=O)=N1 |
| Synonyms | (5-Bromo-2-(methylthio)pyrimidin-4-yl)methyl methanesulfonate,
1481616-19-6,
SCHEMBL16659006,
MFCD28347183,
AKOS027255513,
ZINC247558816,
AS-54831,
CS-0038751,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.184g/mol |
| Monoisotopic Mass | 311.924g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number