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17452-30-1 | 5-(4-METHOXYPHENYL)-1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
CAS No: 17452-30-1 Catalog No: AG01AQNA MDL No:MFCD16653448
Product Description
Catalog Number:
AG01AQNA
Chemical Name:
5-(4-METHOXYPHENYL)-1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
CAS Number:
17452-30-1
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD16653448
IUPAC Name:
4-(4-methoxyphenyl)-3-methyl-1H-imidazole-2-thione
InChI:
InChI=1S/C11H12N2OS/c1-13-10(7-12-11(13)15)8-3-5-9(14-2)6-4-8/h3-7H,1-2H3,(H,12,15)
InChI Key:
ISJSMIGFALWQBH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(n1C)S
Properties
Complexity:
282
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:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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