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Home > Other Heterocycles > 27581-55-1
27581-55-1 | Dispiro[1,3-dithiolane-2,2'-bicyclo[3.3.1]nonane-6',2''-[1,3]dithiolane] (8CI,9CI)
CAS No: 27581-55-1 Catalog No: AG002U53 MDL No:
Product Description
Catalog Number:
AG002U53
Chemical Name:
Dispiro[1,3-dithiolane-2,2'-bicyclo[3.3.1]nonane-6',2''-[1,3]dithiolane] (8CI,9CI)
CAS Number:
27581-55-1
Molecular Formula:
C13H20S4
Molecular Weight:
304.5579
InChI:
InChI=1S/C13H20S4/c1-3-12(14-5-6-15-12)11-2-4-13(10(1)9-11)16-7-8-17-13/h10-11H,1-9H2
InChI Key:
TYSFUJBHHANPRO-UHFFFAOYSA-N
SMILES:
C1CSC2(S1)CCC1CC2CCC21SCCS2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.543g/mol
Monoisotopic Mass:
304.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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