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89030-43-3 | 1-(naphthalen-1-ylmethylsulfanyl)pyrrolidine-2,5-dione
CAS No: 89030-43-3 Catalog No: AG0042QB MDL No:
Product Description
Catalog Number:
AG0042QB
Chemical Name:
1-(naphthalen-1-ylmethylsulfanyl)pyrrolidine-2,5-dione
CAS Number:
89030-43-3
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
1-(naphthalen-1-ylmethylsulfanyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C15H13NO2S/c17-14-8-9-15(18)16(14)19-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2
InChI Key:
OWKSLJUQNGMBDM-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1SCc1cccc2c1cccc2
NSC Number:
295685
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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