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525559-02-8 | 2-(Benzylsulphanyl)-6-(diethoxymethyl)-4-hydroxypyrimidine
CAS No: 525559-02-8 Catalog No: AG01FGYF MDL No:
Product Description
Catalog Number:
AG01FGYF
Chemical Name:
2-(Benzylsulphanyl)-6-(diethoxymethyl)-4-hydroxypyrimidine
CAS Number:
525559-02-8
IUPAC Name:
2-benzylsulfanyl-4-(diethoxymethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C16H20N2O3S/c1-3-20-15(21-4-2)13-10-14(19)18-16(17-13)22-11-12-8-6-5-7-9-12/h5-10,15H,3-4,11H2,1-2H3,(H,17,18,19)
InChI Key:
OJOARARGXCDSSX-UHFFFAOYSA-N
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.407g/mol
Monoisotopic Mass:
320.119g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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