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180274-09-3 | 2,4(1H,3H)-Pyrimidinedione, 5-[2-(butylsulfinyl)ethoxy]-1-[2-(butylsulfinyl)ethyl]-3,6-dimethyl-
CAS No: 180274-09-3 Catalog No: AG0021V9 MDL No:
Product Description
Catalog Number:
AG0021V9
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-[2-(butylsulfinyl)ethoxy]-1-[2-(butylsulfinyl)ethyl]-3,6-dimethyl-
CAS Number:
180274-09-3
Molecular Formula:
C18H32N2O5S2
Molecular Weight:
420.5871
IUPAC Name:
5-(2-butylsulfinylethoxy)-1-(2-butylsulfinylethyl)-3,6-dimethylpyrimidine-2,4-dione
InChI:
InChI=1S/C18H32N2O5S2/c1-5-7-11-26(23)13-9-20-15(3)16(17(21)19(4)18(20)22)25-10-14-27(24)12-8-6-2/h5-14H2,1-4H3
InChI Key:
JKWYQZPVCKLXSW-UHFFFAOYSA-N
SMILES:
CCCCS(=O)CCOc1c(C)n(CCS(=O)CCCC)c(=O)n(c1=O)C
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.175g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.583g/mol
Monoisotopic Mass:
420.175g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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