| CAS Number | 2096333-75-2 |
| Catalog Number | AG01EHHC |
| Chemical Name | 2-Butylthiopyrimidine-5-boronic acid |
| IUPAC Name | (2-butylsulfanylpyrimidin-5-yl)boronic acid |
| InChI | InChI=1S/C8H13BN2O2S/c1-2-3-4-14-8-10-5-7(6-11-8)9(12)13/h5-6,12-13H,2-4H2,1H3 |
| InChI Key | SPKGQKBFTGQKTL-UHFFFAOYSA-N |
| MDL Number | MFCD18434409 |
| Molecular Formula | C8H13BN2O2S |
| Molecular Weight | 212.0770 |
| SMILES | CCCCSc1ncc(cn1)B(O)O |
| Synonyms | 2-Butylthiopyrimidine-5-boronic acid,
2096333-75-2,
(2-(Butylthio)pyrimidin-5-yl)boronic acid,
C8H13BN2O2S,
MFCD18434409,
AKOS027360788,
ZINC169934127,
Y2281,
A-3489,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.074g/mol |
| Monoisotopic Mass | 212.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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