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106848-40-2 | 1H-Imidazole, 2,4,5-tris(methylthio)-1-(phenylmethyl)-
CAS No: 106848-40-2 Catalog No: AG0082ZV MDL No:
Product Description
Catalog Number:
AG0082ZV
Chemical Name:
1H-Imidazole, 2,4,5-tris(methylthio)-1-(phenylmethyl)-
CAS Number:
106848-40-2
Molecular Formula:
C13H16N2S3
Molecular Weight:
296.4745
IUPAC Name:
1-benzyl-2,4,5-tris(methylsulfanyl)imidazole
InChI:
InChI=1S/C13H16N2S3/c1-16-11-12(17-2)15(13(14-11)18-3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChI Key:
UXQURJPDPXEOTM-UHFFFAOYSA-N
SMILES:
CSc1nc(c(n1Cc1ccccc1)SC)SC
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.465g/mol
Monoisotopic Mass:
296.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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