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Home > Other Heterocycles > 68436-51-1
68436-51-1 | 3,9,15-TRIOXA-6,12-DITHIA-21-AZABICYCLO[15.3.1]HENICOSA-1(21),17,19-TRIENE-2,16-DIONE
CAS No: 68436-51-1 Catalog No: AG0063M9 MDL No:
Product Description
Catalog Number:
AG0063M9
Chemical Name:
3,9,15-TRIOXA-6,12-DITHIA-21-AZABICYCLO[15.3.1]HENICOSA-1(21),17,19-TRIENE-2,16-DIONE
CAS Number:
68436-51-1
Molecular Formula:
C15H19NO5S2
Molecular Weight:
357.4451
IUPAC Name:
3,9,15-trioxa-6,12-dithia-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
InChI:
InChI=1S/C15H19NO5S2/c17-14-12-2-1-3-13(16-12)15(18)21-7-11-23-9-5-19-4-8-22-10-6-20-14/h1-3H,4-11H2
InChI Key:
LRISKFCJYKCVKX-UHFFFAOYSA-N
SMILES:
O=C1OCCSCCOCCSCCOC(=O)c2nc1ccc2
UNII:
S6VS289JTG
NSC Number:
297844
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.07g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.439g/mol
Monoisotopic Mass:
357.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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