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180274-06-0 | 2,4(1H,3H)-Pyrimidinedione, 6-methyl-1,3-bis[2-[(2-methylpropyl)sulfinyl]ethyl]-
CAS No: 180274-06-0 Catalog No: AG0021VC MDL No:
Product Description
Catalog Number:
AG0021VC
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-methyl-1,3-bis[2-[(2-methylpropyl)sulfinyl]ethyl]-
CAS Number:
180274-06-0
Molecular Formula:
C17H30N2O4S2
Molecular Weight:
390.5611
IUPAC Name:
6-methyl-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione
InChI:
InChI=1S/C17H30N2O4S2/c1-13(2)11-24(22)8-6-18-15(5)10-16(20)19(17(18)21)7-9-25(23)12-14(3)4/h10,13-14H,6-9,11-12H2,1-5H3
InChI Key:
BXLDUHRYGORSDE-UHFFFAOYSA-N
SMILES:
CC(CS(=O)CCn1c(C)cc(=O)n(c1=O)CCS(=O)CC(C)C)C
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.165g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.557g/mol
Monoisotopic Mass:
390.165g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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