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100849-45-4 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1,3-bis[(methylthio)methyl]-
CAS No: 100849-45-4 Catalog No: AG00030O MDL No:
Product Description
Catalog Number:
AG00030O
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1,3-bis[(methylthio)methyl]-
CAS Number:
100849-45-4
Molecular Formula:
C12H20N2O3S2
Molecular Weight:
304.4288
IUPAC Name:
5,5-diethyl-1,3-bis(methylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C12H20N2O3S2/c1-5-12(6-2)9(15)13(7-18-3)11(17)14(8-19-4)10(12)16/h5-8H2,1-4H3
InChI Key:
CXYSTQJHUVPTAU-UHFFFAOYSA-N
SMILES:
CSCN1C(=O)N(CSC)C(=O)C(C1=O)(CC)CC
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.423g/mol
Monoisotopic Mass:
304.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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