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28640-78-0 | Dispiro[1,3-dithiane-2,6'-bicyclo[3.2.2]nonane-8',2''-[1,3]dithiane] (9CI)
CAS No: 28640-78-0 Catalog No: AG002VXY MDL No:
Product Description
Catalog Number:
AG002VXY
Chemical Name:
Dispiro[1,3-dithiane-2,6'-bicyclo[3.2.2]nonane-8',2''-[1,3]dithiane] (9CI)
CAS Number:
28640-78-0
Molecular Formula:
C15H24S4
Molecular Weight:
332.6111
InChI:
InChI=1S/C15H24S4/c1-4-12-11-15(18-8-3-9-19-15)13(5-1)10-14(12)16-6-2-7-17-14/h12-13H,1-11H2
InChI Key:
BDELBAPLGDEDMX-UHFFFAOYSA-N
SMILES:
C1CSC2(SC1)CC1CCCC2CC21SCCCS2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.076g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.597g/mol
Monoisotopic Mass:
332.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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