cis,cis-2-Methyl-1-thiadecalin
TL;DR: cis,cis-2-Methyl-1-thiadecalin (CAS 83349-26-2) is a chemical compound with molecular formula C10H18S and molecular weight 170.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
Also Known As: cis,cis-2-Methyl-1-thiadecalin, cis,trans-2-Methyl-1-thiadecalin, trans,cis-2-Methyl-1-thiadecalin, 2-Methyloctahydro-2H-thiochromene, trans-2-methyl-cis-1-thiadecalin
| Molecular Formula | C10H18S |
|---|---|
| Molecular Weight | 170.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.11292 |
| Heavy Atoms | 11 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 83349-26-2 |
|---|---|
| SMILES | CC1CCC2CCCCC2S1 |
| InChIKey | UXIZJMFBZMPJGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
cis,cis-2-Methyl-1-thiadecalin (CAS 83349-26-2), with molecular formula C10H18S and molecular weight 170.11 g/mol. IUPAC: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene.
Chemical Property Profile of cis,cis-2-Methyl-1-thiadecalin
Property Insights of cis,cis-2-Methyl-1-thiadecalin
The XLogP value of 3.5 indicates that cis,cis-2-Methyl-1-thiadecalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, cis,cis-2-Methyl-1-thiadecalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis,cis-2-Methyl-1-thiadecalin has 0 hydrogen bond donor(s) and 1 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 cis,cis-2-Methyl-1-thiadecalin?
The CAS number of cis,cis-2-Methyl-1-thiadecalin is 83349-26-2.
What is the molecular formula of cis,cis-2-Methyl-1-thiadecalin?
The molecular formula of cis,cis-2-Methyl-1-thiadecalin is C10H18S.
What is the molecular weight of cis,cis-2-Methyl-1-thiadecalin?
The molecular weight of cis,cis-2-Methyl-1-thiadecalin is 170.11 g/mol.
Where can I buy cis,cis-2-Methyl-1-thiadecalin?
You can request a quote for cis,cis-2-Methyl-1-thiadecalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis,cis-2-Methyl-1-thiadecalin?
Yes, KEHONG BIO provides custom synthesis services for cis,cis-2-Methyl-1-thiadecalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.