5-Bromo-6-methyl-2-(methylthio)pyrimidin-4(3H)-one - CAS 33238-63-0
Catalog: |
BB021627 |
Product Name: |
5-Bromo-6-methyl-2-(methylthio)pyrimidin-4(3H)-one |
CAS: |
33238-63-0 |
Synonyms: |
5-bromo-4-methyl-2-(methylthio)-1H-pyrimidin-6-one; 5-bromo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one |
IUPAC Name: | 5-bromo-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one |
Description: | 5-Bromo-6-methyl-2-(methylthio)pyrimidin-4(3H)-one (CAS# 33238-63-0 ) is a useful research chemical. |
Molecular Weight: | 235.10 |
Molecular Formula: | C6H7BrN2OS |
Canonical SMILES: | CC1=C(C(=O)NC(=N1)SC)Br |
InChI: | InChI=1S/C6H7BrN2OS/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10) |
InChI Key: | NJUVWXITDRZBKE-UHFFFAOYSA-N |
Boiling Point: | 288.5 °C at 760 mmHg |
Density: | 1.77 g/cm3 |
LogP: | 1.56270 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.94625 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.94625 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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