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Home > Imidazoles > 25372-34-3
25372-34-3 | 1-(2,6-diethylphenyl)-1H-imidazole-2-thiol
CAS No: 25372-34-3 Catalog No: AG018GP4 MDL No:MFCD01938069
Product Description
Catalog Number:
AG018GP4
Chemical Name:
1-(2,6-diethylphenyl)-1H-imidazole-2-thiol
CAS Number:
25372-34-3
Molecular Formula:
C13H16N2S
Molecular Weight:
232.3445
MDL Number:
MFCD01938069
IUPAC Name:
3-(2,6-diethylphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C13H16N2S/c1-3-10-6-5-7-11(4-2)12(10)15-9-8-14-13(15)16/h5-9H,3-4H2,1-2H3,(H,14,16)
InChI Key:
JLVAHHHCJOGSLZ-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1n1ccnc1S)CC
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.345g/mol
Monoisotopic Mass:
232.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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