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Home > Imidazoles > 110117-69-6
110117-69-6 | 1H-Imidazole-5-methanol, 4-[[(4-methoxyphenyl)methyl]thio]-1-methyl-
CAS No: 110117-69-6 Catalog No: AG0084BN MDL No:
Product Description
Catalog Number:
AG0084BN
Chemical Name:
1H-Imidazole-5-methanol, 4-[[(4-methoxyphenyl)methyl]thio]-1-methyl-
CAS Number:
110117-69-6
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
IUPAC Name:
[5-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
InChI:
InChI=1S/C13H16N2O2S/c1-15-9-14-13(12(15)7-16)18-8-10-3-5-11(17-2)6-4-10/h3-6,9,16H,7-8H2,1-2H3
InChI Key:
PPICLWIQHQZFCA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CSc1ncn(c1CO)C
Properties
Complexity:
247
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:
4
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:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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