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Home > Other Heterocycles > 87947-24-8
87947-24-8 | 3-Thiabicyclo[3.3.1]nonane, 3,3-dioxide
CAS No: 87947-24-8 Catalog No: AG004EFE MDL No:
Product Description
Catalog Number:
AG004EFE
Chemical Name:
3-Thiabicyclo[3.3.1]nonane, 3,3-dioxide
CAS Number:
87947-24-8
Molecular Formula:
C8H14O2S
Molecular Weight:
174.2606
IUPAC Name:
3λ6-thiabicyclo[3.3.1]nonane 3,3-dioxide
InChI:
InChI=1S/C8H14O2S/c9-11(10)5-7-2-1-3-8(4-7)6-11/h7-8H,1-6H2
InChI Key:
JDVVJUFZDNQVGL-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2CCCC(C1)C2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.258g/mol
Monoisotopic Mass:
174.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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