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84289-48-5 | Pyrimidine, 4-(phenylmethoxy)-2-[(phenylmethyl)thio]-
CAS No: 84289-48-5 Catalog No: AG004TIF MDL No:
Product Description
Catalog Number:
AG004TIF
Chemical Name:
Pyrimidine, 4-(phenylmethoxy)-2-[(phenylmethyl)thio]-
CAS Number:
84289-48-5
Molecular Formula:
C18H16N2OS
Molecular Weight:
308.3974
IUPAC Name:
2-benzylsulfanyl-4-phenylmethoxypyrimidine
InChI:
InChI=1S/C18H16N2OS/c1-3-7-15(8-4-1)13-21-17-11-12-19-18(20-17)22-14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChI Key:
ZIKYGEGJCPUQMO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccnc(n1)SCc1ccccc1
NSC Number:
165512
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.399g/mol
Monoisotopic Mass:
308.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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