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1,7-dithiaspiro[5.5]undecane - Compound Summary (CID 637995)

Depositor-Supplied Synonyms: (Total: 2)
Sort:
1,7-dithiaspiro[5.5]undecane
InChI=1/C9H16S2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H


Properties Computed from Structure:
Molecular Weight188.35334 [g/mol]
Molecular FormulaC9H16S2
XLogP3-AA3.2
H-Bond Donor0
H-Bond Acceptor0
Rotatable Bond Count0
Exact Mass188.069342
MonoIsotopic Mass188.069342
Topological Polar Surface Area0
Heavy Atom Count11
Formal Charge0
Complexity118
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 1,7-dithiaspiro[5.5]undecane
Canonical SMILES: C1CCSC2(C1)CCCCS2
InChI: InChI=1S/C9H16S2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H2
InChIKey: PMGIPAXSBTYKCD-UHFFFAOYSA-N


Compound Information:
CID 637995   
Create Date: 2006-01-25


Similar Compounds: 17 Links
Similar Conformers: 3375 Links    View Conformers


Substance Information:
Substances: 3 Links

Category: [for same structure substances]
Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID 8704585 - External ID: 637995

Physical Properties: 1 Link
   NMRShiftDB ( 1 )
SID 589025 - External ID: 10016161

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID 43760262 - External ID: 553565
     

2D

3D
Compound ID637995
Molecular Weight188.35334 [g/mol]
Molecular FormulaC9H16S2
XLogP3-AA3.2
H-Bond Donor0
H-Bond Acceptor0


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