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84490-15-3 | Methanone, (2,3-dihydro-5-methyl-2-thioxo-1H-imidazol-4-yl)phenyl-
CAS No: 84490-15-3 Catalog No: AG0054QM MDL No:
Product Description
Catalog Number:
AG0054QM
Chemical Name:
Methanone, (2,3-dihydro-5-methyl-2-thioxo-1H-imidazol-4-yl)phenyl-
CAS Number:
84490-15-3
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
IUPAC Name:
(5-methyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)-phenylmethanone
InChI:
InChI=1S/C11H10N2OS/c1-7-9(13-11(15)12-7)10(14)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,15)
InChI Key:
OSGMKIWQISGXOC-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]c(=S)[nH]c1C)c1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.274g/mol
Monoisotopic Mass:
218.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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