1,4-Dithiaspiro(4.5)decane
TL;DR: 1,4-Dithiaspiro(4.5)decane (CAS 177-16-2) is a chemical compound with molecular formula C8H14S2 and molecular weight 174.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dithiaspiro[4.5]decane
Also Known As: 1,4-Dithiaspiro[4.5]decane, 1,4-Dithiaspiro(4.5)decane, Cyclohexanone ethylene dithioketal, Spiro(cyclohexane-1,2'-(1,3-dithiolane)), 1,4-dithiaspiro[4.5]decan
| Molecular Formula | C8H14S2 |
|---|---|
| Molecular Weight | 174.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.0537 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 177-16-2 |
|---|---|
| SMILES | C1CCC2(CC1)SCCS2 |
| InChIKey | CWBCHVVTDJAGBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dithiaspiro(4.5)decane (CAS 177-16-2), with molecular formula C8H14S2 and molecular weight 174.05 g/mol. IUPAC: 1,4-dithiaspiro[4.5]decane.
Chemical Property Profile of 1,4-Dithiaspiro(4.5)decane
Property Insights of 1,4-Dithiaspiro(4.5)decane
The XLogP value of 3.0 indicates that 1,4-Dithiaspiro(4.5)decane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,4-Dithiaspiro(4.5)decane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dithiaspiro(4.5)decane has 0 hydrogen bond donor(s) and 2 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)decane?
The CAS number of 1,4-Dithiaspiro(4.5)decane is 177-16-2.
What is the molecular formula of 1,4-Dithiaspiro(4.5)decane?
The molecular formula of 1,4-Dithiaspiro(4.5)decane is C8H14S2.
What is the molecular weight of 1,4-Dithiaspiro(4.5)decane?
The molecular weight of 1,4-Dithiaspiro(4.5)decane is 174.05 g/mol.
Where can I buy 1,4-Dithiaspiro(4.5)decane?
You can request a quote for 1,4-Dithiaspiro(4.5)decane 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)decane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiaspiro(4.5)decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.