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Home > Imidazoles > 852388-87-5
852388-87-5 | 3-(2,3-DIMETHYLPHENYL)-2-MERCAPTO-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
CAS No: 852388-87-5 Catalog No: AG00G3TC MDL No:MFCD06655451
Product Description
Catalog Number:
AG00G3TC
Chemical Name:
3-(2,3-DIMETHYLPHENYL)-2-MERCAPTO-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
CAS Number:
852388-87-5
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD06655451
IUPAC Name:
3-(2,3-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C11H12N2OS/c1-7-4-3-5-9(8(7)2)13-10(14)6-12-11(13)15/h3-5H,6H2,1-2H3,(H,12,15)
InChI Key:
YNGWUDTVAPDIMD-UHFFFAOYSA-N
SMILES:
O=C1CN=C(N1c1cccc(c1C)C)S
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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