Home Other Building Blocks 5-ethyl-6-hydroxy-3-(2-methylphenyl)-2-sulfanyl-3,4-dihydropyrimidin-4-one

5-ethyl-6-hydroxy-3-(2-methylphenyl)-2-sulfanyl-3,4-dihydropyrimidin-4-one

CAS No.:
1189867-74-0
Catalog Number:
AG01A8H2
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
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Product Description
Catalog Number:
AG01A8H2
Chemical Name:
5-ethyl-6-hydroxy-3-(2-methylphenyl)-2-sulfanyl-3,4-dihydropyrimidin-4-one
CAS Number:
1189867-74-0
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
MDL Number:
MFCD16040053
IUPAC Name:
5-ethyl-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
InChI:
InChI=1S/C13H14N2O2S/c1-3-9-11(16)14-13(18)15(12(9)17)10-7-5-4-6-8(10)2/h4-7,17H,3H2,1-2H3,(H,14,16,18)
InChI Key:
WLGKSMINUCYGJM-UHFFFAOYSA-N
SMILES:
CCc1c(O)nc(n(c1=O)c1ccccc1C)S
Properties
Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.078g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
262.327g/mol
Monoisotopic Mass:
262.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties