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Home > Other Heterocycles > 879642-15-6
879642-15-6 | 4-phenyl-1,7lambda6-dithia-4-azaspiro[4.4]nonane-1,1,3,7,7-pentone
CAS No: 879642-15-6 Catalog No: AG019YJ1 MDL No:MFCD08143601
Product Description
Catalog Number:
AG019YJ1
Chemical Name:
4-phenyl-1,7lambda6-dithia-4-azaspiro[4.4]nonane-1,1,3,7,7-pentone
CAS Number:
879642-15-6
Molecular Formula:
C12H13NO5S2
Molecular Weight:
315.3653
MDL Number:
MFCD08143601
IUPAC Name:
1,1,7,7-tetraoxo-4-phenyl-1λ6,7λ6-dithia-4-azaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C12H13NO5S2/c14-11-8-20(17,18)12(6-7-19(15,16)9-12)13(11)10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
RUWFRPATCCHKNR-UHFFFAOYSA-N
SMILES:
O=C1CS(=O)(=O)C2(N1c1ccccc1)CCS(=O)(=O)C2
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.024g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.358g/mol
Monoisotopic Mass:
315.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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