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Home > Other Heterocycles > 179-83-9
179-83-9 | Spiro[1,3-dithiolane-2,2'(1'H)-naphthalene] (8CI,9CI)
CAS No: 179-83-9 Catalog No: AG0026OC MDL No:
Product Description
Catalog Number:
AG0026OC
Chemical Name:
Spiro[1,3-dithiolane-2,2'(1'H)-naphthalene] (8CI,9CI)
CAS Number:
179-83-9
Molecular Formula:
C12H12S2
Molecular Weight:
220.3537
IUPAC Name:
spiro[1,3-dithiolane-2,2'-1H-naphthalene]
InChI:
InChI=1S/C12H12S2/c1-2-4-11-9-12(13-7-8-14-12)6-5-10(11)3-1/h1-6H,7-9H2
InChI Key:
MZEARWWVARAJEP-UHFFFAOYSA-N
SMILES:
C1CSC2(S1)C=Cc1c(C2)cccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.348g/mol
Monoisotopic Mass:
220.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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