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Home > Other Heterocycles > 27694-08-2
27694-08-2 | 1,4-Dithiaspiro[4.5]decan-6-one
CAS No: 27694-08-2 Catalog No: AG002UI2 MDL No:
Product Description
Catalog Number:
AG002UI2
Chemical Name:
1,4-Dithiaspiro[4.5]decan-6-one
CAS Number:
27694-08-2
Molecular Formula:
C8H12OS2
Molecular Weight:
188.3103
IUPAC Name:
1,4-dithiaspiro[4.5]decan-6-one
InChI:
InChI=1S/C8H12OS2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h1-6H2
InChI Key:
FKUJTNZQICPTED-UHFFFAOYSA-N
SMILES:
O=C1CCCCC21SCCS2
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.303g/mol
Monoisotopic Mass:
188.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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