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Home > Imidazoles > 1105190-39-3
1105190-39-3 | 1-Allyl-5-(4-methoxyphenyl)-1,3-dihydro-2H-imidazole-2-thione
CAS No: 1105190-39-3 Catalog No: AG01AQOM MDL No:MFCD16653450
Product Description
Catalog Number:
AG01AQOM
Chemical Name:
1-Allyl-5-(4-methoxyphenyl)-1,3-dihydro-2H-imidazole-2-thione
CAS Number:
1105190-39-3
Molecular Formula:
C13H14N2OS
Molecular Weight:
246.3281
MDL Number:
MFCD16653450
IUPAC Name:
4-(4-methoxyphenyl)-3-prop-2-enyl-1H-imidazole-2-thione
InChI:
InChI=1S/C13H14N2OS/c1-3-8-15-12(9-14-13(15)17)10-4-6-11(16-2)7-5-10/h3-7,9H,1,8H2,2H3,(H,14,17)
InChI Key:
NNCRHBXXRNKKGG-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)ncc1c1ccc(cc1)OC
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.328g/mol
Monoisotopic Mass:
246.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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