Cis-3,5-dimethyl-thiacyclohexane
TL;DR: Cis-3,5-dimethyl-thiacyclohexane (CAS 54572-06-4) is a chemical compound with molecular formula C7H14S and molecular weight 130.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R)-3,5-dimethylthiane
Also Known As: cis-3,5-dimethyl-thiacyclohexane, cis-3,5-dimethylthiane, Trans-3,5-dimethylthiane, (3S,5R)-3,5-dimethylthiane, (3R,5S)-3,5-Dimethylthiane
| Molecular Formula | C7H14S |
|---|---|
| Molecular Weight | 130.08 g/mol |
| LogP | 2.3955 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.08162 |
| Heavy Atoms | 8 |
| Complexity | 62.78708 |
Chemical Identifiers
| CAS Number | 54572-06-4 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](CSC1)C |
Product Overview
Cis-3,5-dimethyl-thiacyclohexane (CAS 54572-06-4), with molecular formula C7H14S and molecular weight 130.08 g/mol. IUPAC: (3S,5R)-3,5-dimethylthiane.
Chemical Property Profile of Cis-3,5-dimethyl-thiacyclohexane
Property Insights of Cis-3,5-dimethyl-thiacyclohexane
The XLogP value of 2.3955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cis-3,5-dimethyl-thiacyclohexane. With a topological polar surface area (TPSA) of 0.0 Ų, Cis-3,5-dimethyl-thiacyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cis-3,5-dimethyl-thiacyclohexane 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-3,5-dimethyl-thiacyclohexane?
The CAS number of Cis-3,5-dimethyl-thiacyclohexane is 54572-06-4.
What is the molecular formula of Cis-3,5-dimethyl-thiacyclohexane?
The molecular formula of Cis-3,5-dimethyl-thiacyclohexane is C7H14S.
What is the molecular weight of Cis-3,5-dimethyl-thiacyclohexane?
The molecular weight of Cis-3,5-dimethyl-thiacyclohexane is 130.08 g/mol.
Where can I buy Cis-3,5-dimethyl-thiacyclohexane?
You can request a quote for Cis-3,5-dimethyl-thiacyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cis-3,5-dimethyl-thiacyclohexane?
Yes, KEHONG BIO provides custom synthesis services for Cis-3,5-dimethyl-thiacyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.