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129015-13-0 | Methanone, [4-(methylthio)phenyl](5-methyl-2-thioxo-2H-imidazol-4-yl)-
CAS No: 129015-13-0 Catalog No: AG000YRY MDL No:
Product Description
Catalog Number:
AG000YRY
Chemical Name:
Methanone, [4-(methylthio)phenyl](5-methyl-2-thioxo-2H-imidazol-4-yl)-
CAS Number:
129015-13-0
Molecular Formula:
C12H10N2OS2
Molecular Weight:
262.3506
IUPAC Name:
(5-methyl-2-sulfanylideneimidazol-4-yl)-(4-methylsulfanylphenyl)methanone
InChI:
InChI=1S/C12H10N2OS2/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3
InChI Key:
XPTKLIITHYQHBS-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(=O)C1=NC(=S)N=C1C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.345g/mol
Monoisotopic Mass:
262.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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