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87756-68-1 | Pyrimidine, 2,4-dimethoxy-5-(methylthio)-6-(phenylmethoxy)-
CAS No: 87756-68-1 Catalog No: AG004LGU MDL No:
Product Description
Catalog Number:
AG004LGU
Chemical Name:
Pyrimidine, 2,4-dimethoxy-5-(methylthio)-6-(phenylmethoxy)-
CAS Number:
87756-68-1
Molecular Formula:
C14H16N2O3S
Molecular Weight:
292.3534
IUPAC Name:
2,4-dimethoxy-5-methylsulfanyl-6-phenylmethoxypyrimidine
InChI:
InChI=1S/C14H16N2O3S/c1-17-12-11(20-3)13(16-14(15-12)18-2)19-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChI Key:
LQFCCDRXESCWFR-UHFFFAOYSA-N
SMILES:
COc1nc(OCc2ccccc2)c(c(n1)OC)SC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.353g/mol
Monoisotopic Mass:
292.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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