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Home > Other Heterocycles > 174-81-2
174-81-2 | 2,6-Dithiaspiro[3.3]heptane
CAS No: 174-81-2 Catalog No: AG001ZDA MDL No:
Product Description
Catalog Number:
AG001ZDA
Chemical Name:
2,6-Dithiaspiro[3.3]heptane
CAS Number:
174-81-2
Molecular Formula:
C5H8S2
Molecular Weight:
132.2470
IUPAC Name:
2,6-dithiaspiro[3.3]heptane
InChI:
InChI=1S/C5H8S2/c1-5(2-6-1)3-7-4-5/h1-4H2
InChI Key:
ZOVMGOFNKBUCIL-UHFFFAOYSA-N
SMILES:
S1CC2(C1)CSC2
NSC Number:
243809
Properties
Complexity:
66.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.007g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.239g/mol
Monoisotopic Mass:
132.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Spirocyclic sulfur and selenium ligands as molecular rigid rods in coordination of transition metal centers. | Inorganic chemistry 20050110 |
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