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Home > Other Heterocycles > 286-63-5
286-63-5 | 9-Thiabicyclo[6.1.0]nonane
CAS No: 286-63-5 Catalog No: AG002VTM MDL No:
Product Description
Catalog Number:
AG002VTM
Chemical Name:
9-Thiabicyclo[6.1.0]nonane
CAS Number:
286-63-5
Molecular Formula:
C8H14S
Molecular Weight:
142.2618
IUPAC Name:
9-thiabicyclo[6.1.0]nonane
InChI:
InChI=1S/C8H14S/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1-6H2
InChI Key:
XBGDHPDWTHUXFN-UHFFFAOYSA-N
SMILES:
C1CCCC2C(CC1)S2
Properties
Complexity:
88.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.082g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.26g/mol
Monoisotopic Mass:
142.082g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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