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108905-67-5 | 3H-Imidazo[4,5-f]quinoxaline, 3,8-dimethyl-2-(methylthio)-
CAS No: 108905-67-5 Catalog No: AG008311 MDL No:
Product Description
Catalog Number:
AG008311
Chemical Name:
3H-Imidazo[4,5-f]quinoxaline, 3,8-dimethyl-2-(methylthio)-
CAS Number:
108905-67-5
Molecular Formula:
C12H12N4S
Molecular Weight:
244.3155
IUPAC Name:
3,8-dimethyl-2-methylsulfanylimidazo[4,5-f]quinoxaline
InChI:
InChI=1S/C12H12N4S/c1-7-6-13-8-4-5-9-11(10(8)14-7)15-12(17-3)16(9)2/h4-6H,1-3H3
InChI Key:
ZAIKDJJNOQHFDG-UHFFFAOYSA-N
SMILES:
CSc1nc2c(n1C)ccc1c2nc(C)cn1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.316g/mol
Monoisotopic Mass:
244.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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