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Home > Imidazoles > 880517-82-8
880517-82-8 | Quinoxaline, 2,3-bis[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-
CAS No: 880517-82-8 Catalog No: AG004LOH MDL No:
Product Description
Catalog Number:
AG004LOH
Chemical Name:
Quinoxaline, 2,3-bis[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-
CAS Number:
880517-82-8
Molecular Formula:
C18H18N6S2
Molecular Weight:
382.5057
IUPAC Name:
2,3-bis[(1-methylimidazol-2-yl)sulfanylmethyl]quinoxaline
InChI:
InChI=1S/C18H18N6S2/c1-23-9-7-19-17(23)25-11-15-16(12-26-18-20-8-10-24(18)2)22-14-6-4-3-5-13(14)21-15/h3-10H,11-12H2,1-2H3
InChI Key:
DPWAHFKWWVVYEY-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SCc1nc2ccccc2nc1CSc1nccn1C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.103g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.504g/mol
Monoisotopic Mass:
382.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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