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Home > Imidazoles > 852388-94-4
852388-94-4 | 1-Ethyl-5-(4-methylphenyl)-1H-imidazole-2-thiol
CAS No: 852388-94-4 Catalog No: AG019O4M MDL No:MFCD06655470
Product Description
Catalog Number:
AG019O4M
Chemical Name:
1-Ethyl-5-(4-methylphenyl)-1H-imidazole-2-thiol
CAS Number:
852388-94-4
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
MDL Number:
MFCD06655470
IUPAC Name:
3-ethyl-4-(4-methylphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C12H14N2S/c1-3-14-11(8-13-12(14)15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,13,15)
InChI Key:
NNZAHVRRMFWZCA-UHFFFAOYSA-N
SMILES:
CCn1c(S)ncc1c1ccc(cc1)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.318g/mol
Monoisotopic Mass:
218.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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