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Home > Imidazoles > 69965-44-2
69965-44-2 | 1H-Imidazole,1-[2-methyl-3-[4-(phenylthio)phenyl]propyl]-, hydrochloride (1:1)
CAS No: 69965-44-2 Catalog No: AG00653Q MDL No:
Product Description
Catalog Number:
AG00653Q
Chemical Name:
1H-Imidazole,1-[2-methyl-3-[4-(phenylthio)phenyl]propyl]-, hydrochloride (1:1)
CAS Number:
69965-44-2
Molecular Formula:
C19H21ClN2S
Molecular Weight:
344.9014
IUPAC Name:
1-[2-methyl-3-(4-phenylsulfanylphenyl)propyl]-1H-imidazol-1-ium;chloride
InChI:
InChI=1S/C19H20N2S.ClH/c1-16(14-21-12-11-20-15-21)13-17-7-9-19(10-8-17)22-18-5-3-2-4-6-18;/h2-12,15-16H,13-14H2,1H3;1H
InChI Key:
HBCVTNKEGVSKIY-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)Sc1ccccc1)C[NH+]1C=NC=C1.[Cl-]
EC Number:
274-237-5
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.901g/mol
Monoisotopic Mass:
344.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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