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Home > Imidazoles > 141885-06-5
141885-06-5 | 1H-Imidazole, 5-[bis(phenylthio)methyl]-1-methyl-
CAS No: 141885-06-5 Catalog No: AG001HAL MDL No:
Product Description
Catalog Number:
AG001HAL
Chemical Name:
1H-Imidazole, 5-[bis(phenylthio)methyl]-1-methyl-
CAS Number:
141885-06-5
Molecular Formula:
C17H16N2S2
Molecular Weight:
312.4523
IUPAC Name:
5-[bis(phenylsulfanyl)methyl]-1-methylimidazole
InChI:
InChI=1S/C17H16N2S2/c1-19-13-18-12-16(19)17(20-14-8-4-2-5-9-14)21-15-10-6-3-7-11-15/h2-13,17H,1H3
InChI Key:
BFGQCQOMRCQKIO-UHFFFAOYSA-N
SMILES:
Cn1cncc1C(Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.449g/mol
Monoisotopic Mass:
312.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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