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Home > Imidazoles > 1105190-44-0
1105190-44-0 | 1-(2-METHOXYETHYL)-5-(4-METHOXYPHENYL)-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
CAS No: 1105190-44-0 Catalog No: AG01AQON MDL No:MFCD16653451
Product Description
Catalog Number:
AG01AQON
Chemical Name:
1-(2-METHOXYETHYL)-5-(4-METHOXYPHENYL)-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
CAS Number:
1105190-44-0
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
MDL Number:
MFCD16653451
IUPAC Name:
3-(2-methoxyethyl)-4-(4-methoxyphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C13H16N2O2S/c1-16-8-7-15-12(9-14-13(15)18)10-3-5-11(17-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,18)
InChI Key:
VFAZUDZHTZDPKV-UHFFFAOYSA-N
SMILES:
COCCn1c(S)ncc1c1ccc(cc1)OC
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.343g/mol
Monoisotopic Mass:
264.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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