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Home > Indoles and Oxindole > 24838-18-4
24838-18-4 | 5H-1,2,4-Triazino[5,6-b]indole, 3-(methylsulfonyl)-
CAS No: 24838-18-4 Catalog No: AG002PLY MDL No:
Product Description
Catalog Number:
AG002PLY
Chemical Name:
5H-1,2,4-Triazino[5,6-b]indole, 3-(methylsulfonyl)-
CAS Number:
24838-18-4
Molecular Formula:
C10H8N4O2S
Molecular Weight:
248.2611
IUPAC Name:
3-methylsulfonyl-5H-[1,2,4]triazino[5,6-b]indole
InChI:
InChI=1S/C10H8N4O2S/c1-17(15,16)10-12-9-8(13-14-10)6-4-2-3-5-7(6)11-9/h2-5H,1H3,(H,11,12,14)
InChI Key:
GNDAILGHJSMACY-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.26g/mol
Monoisotopic Mass:
248.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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