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Home > Other Heterocycles > 87947-23-7
87947-23-7 | 3-Thiabicyclo[3.3.1]nonane, 3-oxide
CAS No: 87947-23-7 Catalog No: AG004GC1 MDL No:
Product Description
Catalog Number:
AG004GC1
Chemical Name:
3-Thiabicyclo[3.3.1]nonane, 3-oxide
CAS Number:
87947-23-7
Molecular Formula:
C8H14OS
Molecular Weight:
158.2612
IUPAC Name:
3λ4-thiabicyclo[3.3.1]nonane 3-oxide
InChI:
InChI=1S/C8H14OS/c9-10-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6H2
InChI Key:
PJPCRNLBRJNBQQ-UHFFFAOYSA-N
SMILES:
O=S1CC2CCCC(C1)C2
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.077g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.259g/mol
Monoisotopic Mass:
158.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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