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Home > Other Heterocycles > 879641-96-0
879641-96-0 | 4-benzyl-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS No: 879641-96-0 Catalog No: AG019YJ0 MDL No:MFCD08143598
Product Description
Catalog Number:
AG019YJ0
Chemical Name:
4-benzyl-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS Number:
879641-96-0
Molecular Formula:
C13H15NO3S2
Molecular Weight:
297.3931
MDL Number:
MFCD08143598
IUPAC Name:
4-benzyl-7,7-dioxo-1,7λ6-dithia-4-azaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C13H15NO3S2/c15-12-9-18-13(6-7-19(16,17)10-13)14(12)8-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key:
NFLZBELSPJFBGV-UHFFFAOYSA-N
SMILES:
O=C1CSC2(N1Cc1ccccc1)CCS(=O)(=O)C2
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.387g/mol
Monoisotopic Mass:
297.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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