![1,5-Dithiaspiro[5.5]undecan-9-one structure](/static/products/871/87121-97-9.png)
1,5-Dithiaspiro[5.5]undecan-9-one
TL;DR: 1,5-Dithiaspiro[5.5]undecan-9-one (CAS 87121-97-9) is a chemical compound with molecular formula C9H14OS2 and molecular weight 202.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dithiaspiro[5.5]undecan-9-one
Also Known As: 1,5-Dithiaspiro[5.5]undecan-9-one, 7,11-dithiaspiro[5.5]undecan-3-one, 9-oxo-1,5-dithiaspiro(5.5)undecane, NCI60_014665
| Molecular Formula | C9H14OS2 |
|---|---|
| Molecular Weight | 202.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.04861 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 87121-97-9 |
|---|---|
| SMILES | C1CSC2(CCC(=O)CC2)SC1 |
| InChIKey | XOGUYODJSCEVLO-UHFFFAOYSA-N |
Product Overview
1,5-Dithiaspiro[5.5]undecan-9-one (CAS 87121-97-9), with molecular formula C9H14OS2 and molecular weight 202.05 g/mol. IUPAC: 1,5-dithiaspiro[5.5]undecan-9-one.
Chemical Property Profile of 1,5-Dithiaspiro[5.5]undecan-9-one
Property Insights of 1,5-Dithiaspiro[5.5]undecan-9-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dithiaspiro[5.5]undecan-9-one. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dithiaspiro[5.5]undecan-9-one. Following Lipinski's Rule of Five, 1,5-Dithiaspiro[5.5]undecan-9-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5-Dithiaspiro[5.5]undecan-9-one?
The CAS number of 1,5-Dithiaspiro[5.5]undecan-9-one is 87121-97-9.
What is the molecular formula of 1,5-Dithiaspiro[5.5]undecan-9-one?
The molecular formula of 1,5-Dithiaspiro[5.5]undecan-9-one is C9H14OS2.
What is the molecular weight of 1,5-Dithiaspiro[5.5]undecan-9-one?
The molecular weight of 1,5-Dithiaspiro[5.5]undecan-9-one is 202.05 g/mol.
Where can I buy 1,5-Dithiaspiro[5.5]undecan-9-one?
You can request a quote for 1,5-Dithiaspiro[5.5]undecan-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dithiaspiro[5.5]undecan-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dithiaspiro[5.5]undecan-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.