Potassium Trifluoro[5-(methylthio)-2-pyrimidinyl]borate - CAS 1245906-73-3
Catalog: |
BB005928 |
Product Name: |
Potassium Trifluoro[5-(methylthio)-2-pyrimidinyl]borate |
CAS: |
1245906-73-3 |
Synonyms: |
potassium;trifluoro-[2-(methylthio)-5-pyrimidinyl]boranuide; potassium;trifluoro-(2-methylsulfanylpyrimidin-5-yl)boranuide |
IUPAC Name: | potassium;trifluoro-(2-methylsulfanylpyrimidin-5-yl)boranuide |
Description: | Potassium Trifluoro[5-(methylthio)-2-pyrimidinyl]borate (CAS# 1245906-73-3 ) is a useful research chemical. |
Molecular Weight: | 232.08 |
Molecular Formula: | C5H5F3N2SBK |
Canonical SMILES: | [B-](C1=CN=C(N=C1)SC)(F)(F)F.[K+] |
InChI: | InChI=1S/C5H5BF3N2S.K/c1-12-5-10-2-4(3-11-5)6(7,8)9;/h2-3H,1H3;/q-1;+1 |
InChI Key: | XLYBVPRIRFYVPQ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.25290 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.9855655 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.9855655 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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