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Home > Imidazoles > 84212-23-7
84212-23-7 | 1H-Imidazole, 2,5-dihydro-1,5,5-trimethyl-4-[4-(methylthio)phenyl]-
CAS No: 84212-23-7 Catalog No: AG004YI2 MDL No:
Product Description
Catalog Number:
AG004YI2
Chemical Name:
1H-Imidazole, 2,5-dihydro-1,5,5-trimethyl-4-[4-(methylthio)phenyl]-
CAS Number:
84212-23-7
Molecular Formula:
C13H18N2S
Molecular Weight:
234.3604
IUPAC Name:
1,5,5-trimethyl-4-(4-methylsulfanylphenyl)-2H-imidazole
InChI:
InChI=1S/C13H18N2S/c1-13(2)12(14-9-15(13)3)10-5-7-11(16-4)8-6-10/h5-8H,9H2,1-4H3
InChI Key:
NRTDXYUWAHRHMA-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C1=NCN(C1(C)C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.119g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.361g/mol
Monoisotopic Mass:
234.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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