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

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

CAS No.:
1235440-68-2
Catalog Number:
AG01A8LH
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
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Product Description
Catalog Number:
AG01A8LH
Chemical Name:
5-ethyl-6-hydroxy-3-(3-methoxyphenyl)-2-sulfanyl-3,4-dihydropyrimidin-4-one
CAS Number:
1235440-68-2
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
MDL Number:
MFCD16040106
IUPAC Name:
5-ethyl-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
InChI:
InChI=1S/C13H14N2O3S/c1-3-10-11(16)14-13(19)15(12(10)17)8-5-4-6-9(7-8)18-2/h4-7,17H,3H2,1-2H3,(H,14,16,19)
InChI Key:
MBEDKAHMYHKESY-UHFFFAOYSA-N
SMILES:
CCc1c(O)nc(n(c1=O)c1cccc(c1)OC)S
Properties
Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties