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Home > Other Heterocycles > 17547-96-5
17547-96-5 | 6,7-dithiaspiro[3.4]octan-2-one
CAS No: 17547-96-5 Catalog No: AG01EJYY MDL No:MFCD31616463
Product Description
Catalog Number:
AG01EJYY
Chemical Name:
6,7-dithiaspiro[3.4]octan-2-one
CAS Number:
17547-96-5
Molecular Formula:
C6H8OS2
Molecular Weight:
160.2571
MDL Number:
MFCD31616463
IUPAC Name:
6,7-dithiaspiro[3.4]octan-2-one
InChI:
InChI=1S/C6H8OS2/c7-5-1-6(2-5)3-8-9-4-6/h1-4H2
InChI Key:
CKSXZGVEFFHIOW-UHFFFAOYSA-N
SMILES:
O=C1CC2(C1)CSSC2
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.002g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.249g/mol
Monoisotopic Mass:
160.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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