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Home > Other Heterocycles > 880450-10-2
880450-10-2 | 4-phenyl-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS No: 880450-10-2 Catalog No: AG019YIZ MDL No:MFCD08143363
Product Description
Catalog Number:
AG019YIZ
Chemical Name:
4-phenyl-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS Number:
880450-10-2
Molecular Formula:
C12H13NO3S2
Molecular Weight:
283.3665
MDL Number:
MFCD08143363
IUPAC Name:
7,7-dioxo-4-phenyl-1,7λ6-dithia-4-azaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C12H13NO3S2/c14-11-8-17-12(6-7-18(15,16)9-12)13(11)10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
BQUMFJLTYKSLIC-UHFFFAOYSA-N
SMILES:
O=C1CSC2(N1c1ccccc1)CCS(=O)(=O)C2
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.034g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.36g/mol
Monoisotopic Mass:
283.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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