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180028-90-4 | 4(1H)-Pyrimidinone, 6-amino-2,3-dihydro-1-(4-methylphenyl)-2-thioxo-
CAS No: 180028-90-4 Catalog No: AG0021NA MDL No:
Product Description
Catalog Number:
AG0021NA
Chemical Name:
4(1H)-Pyrimidinone, 6-amino-2,3-dihydro-1-(4-methylphenyl)-2-thioxo-
CAS Number:
180028-90-4
Molecular Formula:
C11H11N3OS
Molecular Weight:
233.2895
IUPAC Name:
6-amino-1-(4-methylphenyl)-2-sulfanylidenepyrimidin-4-one
InChI:
InChI=1S/C11H11N3OS/c1-7-2-4-8(5-3-7)14-9(12)6-10(15)13-11(14)16/h2-6H,12H2,1H3,(H,13,15,16)
InChI Key:
WNXXIEDYUAGZKV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(N)cc(=O)[nH]c1=S
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.289g/mol
Monoisotopic Mass:
233.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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