![1,4-Dithiaspiro[4.5]decan-6-one structure](/static/products/2769/27694-08-2.webp)
1,4-Dithiaspiro[4.5]decan-6-one
TL;DR: 1,4-Dithiaspiro[4.5]decan-6-one (CAS 27694-08-2) is a chemical compound with molecular formula C8H12OS2 and molecular weight 188.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dithiaspiro[4.5]decan-6-one
Also Known As: 1,4-dithiaspiro[4.5]decan-6-one, 1,4-dithiaspiro[4.5]decan-10-one, 1,4-dithiaspiro[4.5]decan-6-on, cyclohezanespiro-2'-(1',3'-dithiolan)-2-one
| Molecular Formula | C8H12OS2 |
|---|---|
| Molecular Weight | 188.03 g/mol |
| LogP | 2.3058 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.03296 |
| Heavy Atoms | 11 |
| Complexity | 172.93088 |
Chemical Identifiers
| CAS Number | 27694-08-2 |
|---|---|
| SMILES | C1CCC2(C(=O)C1)SCCS2 |
Product Overview
1,4-Dithiaspiro[4.5]decan-6-one (CAS 27694-08-2), with molecular formula C8H12OS2 and molecular weight 188.03 g/mol. IUPAC: 1,4-dithiaspiro[4.5]decan-6-one.
Chemical Property Profile of 1,4-Dithiaspiro[4.5]decan-6-one
Property Insights of 1,4-Dithiaspiro[4.5]decan-6-one
The XLogP value of 2.3058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dithiaspiro[4.5]decan-6-one. With a topological polar surface area (TPSA) of 17.07 Ų, 1,4-Dithiaspiro[4.5]decan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dithiaspiro[4.5]decan-6-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 1,4-Dithiaspiro[4.5]decan-6-one?
The CAS number of 1,4-Dithiaspiro[4.5]decan-6-one is 27694-08-2.
What is the molecular formula of 1,4-Dithiaspiro[4.5]decan-6-one?
The molecular formula of 1,4-Dithiaspiro[4.5]decan-6-one is C8H12OS2.
What is the molecular weight of 1,4-Dithiaspiro[4.5]decan-6-one?
The molecular weight of 1,4-Dithiaspiro[4.5]decan-6-one is 188.03 g/mol.
Where can I buy 1,4-Dithiaspiro[4.5]decan-6-one?
You can request a quote for 1,4-Dithiaspiro[4.5]decan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dithiaspiro[4.5]decan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiaspiro[4.5]decan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.