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7146-33-0 | Methanone,1,1'-(5-oxido-1,2,5-oxadiazole-3,4-diyl)bis[1-benzo[b]thien-3-yl-
CAS No: 7146-33-0 Catalog No: AG005HS0 MDL No:
Product Description
Catalog Number:
AG005HS0
Chemical Name:
Methanone,1,1'-(5-oxido-1,2,5-oxadiazole-3,4-diyl)bis[1-benzo[b]thien-3-yl-
CAS Number:
7146-33-0
Molecular Formula:
C20H10N2O4S2
Molecular Weight:
406.4344
IUPAC Name:
[4-(1-benzothiophene-3-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(1-benzothiophen-3-yl)methanone
InChI:
InChI=1S/C20H10N2O4S2/c23-19(13-9-27-15-7-3-1-5-11(13)15)17-18(22(25)26-21-17)20(24)14-10-28-16-8-4-2-6-12(14)16/h1-10H
InChI Key:
VGVCAZDGILAXDP-UHFFFAOYSA-N
SMILES:
[O-][n+]1onc(c1C(=O)c1csc2c1cccc2)C(=O)c1csc2c1cccc2
NSC Number:
18877
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.008g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.43g/mol
Monoisotopic Mass:
406.008g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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