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Home > Other Heterocycles > 89572-15-6
89572-15-6 | Spiro[1,3-benzodithiole-2,1'-cycloheptane], 1-oxide
CAS No: 89572-15-6 Catalog No: AG003XX9 MDL No:
Product Description
Catalog Number:
AG003XX9
Chemical Name:
Spiro[1,3-benzodithiole-2,1'-cycloheptane], 1-oxide
CAS Number:
89572-15-6
Molecular Formula:
C13H16OS2
Molecular Weight:
252.3955
IUPAC Name:
spiro[1λ4,3-benzodithiole-2,1'-cycloheptane] 1-oxide
InChI:
InChI=1S/C13H16OS2/c14-16-12-8-4-3-7-11(12)15-13(16)9-5-1-2-6-10-13/h3-4,7-8H,1-2,5-6,9-10H2
InChI Key:
AVJFQTVLFRHNRG-UHFFFAOYSA-N
SMILES:
O=S1c2ccccc2SC21CCCCCC2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.39g/mol
Monoisotopic Mass:
252.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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