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189152-42-9 | Ethanone, 1-[4-methyl-6-(methylthio)-2-(2-thienyl)-5-pyrimidinyl]-
CAS No: 189152-42-9 Catalog No: AG002HZ3 MDL No:
Product Description
Catalog Number:
AG002HZ3
Chemical Name:
Ethanone, 1-[4-methyl-6-(methylthio)-2-(2-thienyl)-5-pyrimidinyl]-
CAS Number:
189152-42-9
Molecular Formula:
C12H12N2OS2
Molecular Weight:
264.3665
IUPAC Name:
1-(4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone
InChI:
InChI=1S/C12H12N2OS2/c1-7-10(8(2)15)12(16-3)14-11(13-7)9-5-4-6-17-9/h4-6H,1-3H3
InChI Key:
AGLQGSGBNOUGFG-UHFFFAOYSA-N
SMILES:
CSc1nc(nc(c1C(=O)C)C)c1cccs1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.361g/mol
Monoisotopic Mass:
264.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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