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702-52-3 | Spiro[bicyclo[2.2.2]octane-2,2'-[1,3]dithiolane](8CI,9CI)
CAS No: 702-52-3 Catalog No: AG006A7R MDL No:
Product Description
Catalog Number:
AG006A7R
Chemical Name:
Spiro[bicyclo[2.2.2]octane-2,2'-[1,3]dithiolane](8CI,9CI)
CAS Number:
702-52-3
Molecular Formula:
C10H16S2
Molecular Weight:
200.3640
IUPAC Name:
spiro[1,3-dithiolane-2,2'-bicyclo[2.2.2]octane]
InChI:
InChI=1S/C10H16S2/c1-3-9-4-2-8(1)7-10(9)11-5-6-12-10/h8-9H,1-7H2
InChI Key:
JSEFSFCUSYPHSQ-UHFFFAOYSA-N
SMILES:
C1CSC2(S1)CC1CCC2CC1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.358g/mol
Monoisotopic Mass:
200.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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