6-Methyl-1,4-dithiaspiro(4.5)decane
TL;DR: 6-Methyl-1,4-dithiaspiro(4.5)decane (CAS 31404-11-2) is a chemical compound with molecular formula C9H16S2 and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1,4-dithiaspiro[4.5]decane
Also Known As: 6-Methyl-1,4-dithiaspiro(4.5)decane, 6-Methyl-1,4-dithiaspiro[4.5]decane, 1,4-DITHIASPIRO(4.5)DECANE, 6-METHYL-, 10-methyl-1,4-dithiaspiro[4.5]decane, 2-Methylcyclohexanone ethylene dithioacetal
| Molecular Formula | C9H16S2 |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.06934 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 31404-11-2 |
|---|---|
| SMILES | CC1CCCCC12SCCS2 |
| InChIKey | MVZUYLHBMPBJRF-UHFFFAOYSA-N |
Product Overview
6-Methyl-1,4-dithiaspiro(4.5)decane (CAS 31404-11-2), with molecular formula C9H16S2 and molecular weight 188.07 g/mol. IUPAC: 6-methyl-1,4-dithiaspiro[4.5]decane.
Chemical Property Profile of 6-Methyl-1,4-dithiaspiro(4.5)decane
Property Insights of 6-Methyl-1,4-dithiaspiro(4.5)decane
The XLogP value of 3.5 indicates that 6-Methyl-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, 6-Methyl-1,4-dithiaspiro(4.5)decane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-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 6-Methyl-1,4-dithiaspiro(4.5)decane?
The CAS number of 6-Methyl-1,4-dithiaspiro(4.5)decane is 31404-11-2.
What is the molecular formula of 6-Methyl-1,4-dithiaspiro(4.5)decane?
The molecular formula of 6-Methyl-1,4-dithiaspiro(4.5)decane is C9H16S2.
What is the molecular weight of 6-Methyl-1,4-dithiaspiro(4.5)decane?
The molecular weight of 6-Methyl-1,4-dithiaspiro(4.5)decane is 188.07 g/mol.
Where can I buy 6-Methyl-1,4-dithiaspiro(4.5)decane?
You can request a quote for 6-Methyl-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 6-Methyl-1,4-dithiaspiro(4.5)decane?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-1,4-dithiaspiro(4.5)decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.