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180274-05-9 | 2,4(1H,3H)-Pyrimidinedione, 6-methyl-3-[2-[(2-methylpropyl)sulfinyl]ethyl]-
CAS No: 180274-05-9 Catalog No: AG0021VD MDL No:
Product Description
Catalog Number:
AG0021VD
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-methyl-3-[2-[(2-methylpropyl)sulfinyl]ethyl]-
CAS Number:
180274-05-9
Molecular Formula:
C11H18N2O3S
Molecular Weight:
258.3372
IUPAC Name:
6-methyl-3-[2-(2-methylpropylsulfinyl)ethyl]-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H18N2O3S/c1-8(2)7-17(16)5-4-13-10(14)6-9(3)12-11(13)15/h6,8H,4-5,7H2,1-3H3,(H,12,15)
InChI Key:
RLANAQUHUQWAOJ-UHFFFAOYSA-N
SMILES:
CC(CS(=O)CCn1c(=O)cc([nH]c1=O)C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.336g/mol
Monoisotopic Mass:
258.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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