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100051-37-4 | 4(1H)-Pyrimidinone, 5-butyl-2,3-dihydro-6-propyl-2-thioxo-
CAS No: 100051-37-4 Catalog No: AG0000O9 MDL No:
Product Description
Catalog Number:
AG0000O9
Chemical Name:
4(1H)-Pyrimidinone, 5-butyl-2,3-dihydro-6-propyl-2-thioxo-
CAS Number:
100051-37-4
Molecular Formula:
C11H18N2OS
Molecular Weight:
226.3384
IUPAC Name:
5-butyl-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C11H18N2OS/c1-3-5-7-8-9(6-4-2)12-11(15)13-10(8)14/h3-7H2,1-2H3,(H2,12,13,14,15)
InChI Key:
VURDXXXEUABMQP-UHFFFAOYSA-N
SMILES:
CCCCc1c(CCC)[nH]c(=S)[nH]c1=O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.114g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.338g/mol
Monoisotopic Mass:
226.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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