1,5-Dithiaspiro[5.5]undecane-9-carboxylic Acid Ethyl Ester - CAS 101455-39-4
Catalog: |
BB063141 |
Product Name: |
1,5-Dithiaspiro[5.5]undecane-9-carboxylic Acid Ethyl Ester |
CAS: |
101455-39-4 |
Synonyms: |
Ethyl 1,5-dithiaspiro[5.5]undecane-9-carboxylate; 1,5-Dithiaspiro[5.5]undecane-9-carboxylic Acid Ethyl Ester |
IUPAC Name: | ethyl 1,5-dithiaspiro[5.5]undecane-9-carboxylate |
Description: | A reactant used in the preparation of potential anticancer agents. |
Molecular Weight: | 260.42 |
Molecular Formula: | C12H20O2S2 |
Canonical SMILES: | CCOC(=O)C1CCC2(CC1)SCCCS2 |
InChI: | InChI=1S/C12H20O2S2/c1-2-14-11(13)10-4-6-12(7-5-10)15-8-3-9-16-12/h10H,2-9H2,1H3 |
InChI Key: | IVVPUNJOSNFSMX-UHFFFAOYSA-N |
Solubility: | Organic Solvents |
Appearance: | Pale Brown Oil |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.09047222 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.09047222 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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