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Home > Other Heterocycles > 67194-70-1
67194-70-1 | 9-thiabicyclo[3.3.1]nonan-3-one
CAS No: 67194-70-1 Catalog No: AG006K81 MDL No:MFCD09865760
Product Description
Catalog Number:
AG006K81
Chemical Name:
9-thiabicyclo[3.3.1]nonan-3-one
CAS Number:
67194-70-1
Molecular Formula:
C8H12OS
Molecular Weight:
156.2453
MDL Number:
MFCD09865760
IUPAC Name:
9-thiabicyclo[3.3.1]nonan-3-one
InChI:
InChI=1S/C8H12OS/c9-6-4-7-2-1-3-8(5-6)10-7/h7-8H,1-5H2
InChI Key:
RCONYUCQGTXZGJ-UHFFFAOYSA-N
SMILES:
O=C1CC2CCCC(C1)S2
NSC Number:
135440
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.243g/mol
Monoisotopic Mass:
156.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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