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Home > Other Heterocycles > 879641-80-2
879641-80-2 | 4-(furan-2-ylmethyl)-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS No: 879641-80-2 Catalog No: AG019YIO MDL No:MFCD08143596
Product Description
Catalog Number:
AG019YIO
Chemical Name:
4-(furan-2-ylmethyl)-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS Number:
879641-80-2
Molecular Formula:
C11H13NO4S2
Molecular Weight:
287.3552
MDL Number:
MFCD08143596
IUPAC Name:
4-(furan-2-ylmethyl)-7,7-dioxo-1,7λ6-dithia-4-azaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C11H13NO4S2/c13-10-7-17-11(3-5-18(14,15)8-11)12(10)6-9-2-1-4-16-9/h1-2,4H,3,5-8H2
InChI Key:
CNRJVEBWLGSKNX-UHFFFAOYSA-N
SMILES:
O=C1CSC2(N1Cc1ccco1)CCS(=O)(=O)C2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.029g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.348g/mol
Monoisotopic Mass:
287.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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