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Home > Imidazoles > 919028-83-4
919028-83-4 | 1-BENZYL-5-(4-METHOXYPHENYL)-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
CAS No: 919028-83-4 Catalog No: AG01AR7S MDL No:MFCD09039464
Product Description
Catalog Number:
AG01AR7S
Chemical Name:
1-BENZYL-5-(4-METHOXYPHENYL)-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
CAS Number:
919028-83-4
Molecular Formula:
C17H16N2OS
Molecular Weight:
296.3867
MDL Number:
MFCD09039464
IUPAC Name:
3-benzyl-4-(4-methoxyphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C17H16N2OS/c1-20-15-9-7-14(8-10-15)16-11-18-17(21)19(16)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,18,21)
InChI Key:
XPMNIRMIQMAYON-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(n1Cc1ccccc1)S
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.388g/mol
Monoisotopic Mass:
296.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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