5-Bromo-2-(methylthio)pyrimidin-4(3H)-one - CAS 81560-03-4
Catalog: |
BB036670 |
Product Name: |
5-Bromo-2-(methylthio)pyrimidin-4(3H)-one |
CAS: |
81560-03-4 |
Synonyms: |
5-bromo-2-(methylthio)-1H-pyrimidin-6-one; 5-bromo-2-methylsulfanyl-1H-pyrimidin-6-one |
IUPAC Name: | 5-bromo-2-methylsulfanyl-1H-pyrimidin-6-one |
Description: | 5-Bromo-2-(methylthio)pyrimidin-4(3H)-one (CAS# 81560-03-4) is a useful research chemical. |
Molecular Weight: | 221.08 |
Molecular Formula: | C5H5BrN2OS |
Canonical SMILES: | CSC1=NC=C(C(=O)N1)Br |
InChI: | InChI=1S/C5H5BrN2OS/c1-10-5-7-2-3(6)4(9)8-5/h2H,1H3,(H,7,8,9) |
InChI Key: | BKWWYXOEVKZFDA-UHFFFAOYSA-N |
Boiling Point: | 280.4 °C at 760 mmHg |
Density: | 1.88 g/cm3 |
LogP: | 1.66660 |
Publication Number | Title | Priority Date |
US-2011015190-A1 | Gamma secretase modulators | 20071206 |
US-8450343-B2 | Gamma secretase modulators | 20071206 |
AU-2007338792-A1 | Substituted heterocycles and methods of use | 20061220 |
AU-2007338792-B2 | Substituted heterocycles and methods of use | 20061220 |
EP-2125781-A2 | Substituted heterocycles and methods of use | 20061220 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.9306 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.9306 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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