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123771-21-1 | Pyridine, 2,6-bis[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-
CAS No: 123771-21-1 Catalog No: AG000L2L MDL No:
Product Description
Catalog Number:
AG000L2L
Chemical Name:
Pyridine, 2,6-bis[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-
CAS Number:
123771-21-1
Molecular Formula:
C15H17N5S2
Molecular Weight:
331.4590
IUPAC Name:
2,6-bis[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine
InChI:
InChI=1S/C15H17N5S2/c1-19-8-6-16-14(19)21-10-12-4-3-5-13(18-12)11-22-15-17-7-9-20(15)2/h3-9H,10-11H2,1-2H3
InChI Key:
GZGYPBYOWXKZCL-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SCc1cccc(n1)CSc1nccn1C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.456g/mol
Monoisotopic Mass:
331.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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