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Home > Other Heterocycles > 879642-09-8
879642-09-8 | 4-(2-methylphenyl)-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS No: 879642-09-8 Catalog No: AG019YDN MDL No:MFCD08143600
Product Description
Catalog Number:
AG019YDN
Chemical Name:
4-(2-methylphenyl)-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS Number:
879642-09-8
Molecular Formula:
C13H15NO3S2
Molecular Weight:
297.3931
MDL Number:
MFCD08143600
IUPAC Name:
4-(2-methylphenyl)-7,7-dioxo-1,7λ6-dithia-4-azaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C13H15NO3S2/c1-10-4-2-3-5-11(10)14-12(15)8-18-13(14)6-7-19(16,17)9-13/h2-5H,6-9H2,1H3
InChI Key:
PSEDKTRHDFFKIU-UHFFFAOYSA-N
SMILES:
O=C1CSC2(N1c1ccccc1C)CCS(=O)(=O)C2
Properties
Complexity:
485
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:
1
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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