2,2-Dimethyl-thiacyclohexane
TL;DR: 2,2-Dimethyl-thiacyclohexane (CAS 16896-58-5) 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.
2,2-dimethylthiane
Also Known As: 2,2-dimethylthiane, 2,2-dimethyl-thiacyclohexane, 2,2-dimethyltetrahydro-2H-thiopyran
| Molecular Formula | C7H14S |
|---|---|
| Molecular Weight | 130.08 g/mol |
| LogP | 2.6821 |
| 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 | 68.45601 |
Chemical Identifiers
| CAS Number | 16896-58-5 |
|---|---|
| SMILES | CC1(CCCCS1)C |
Product Overview
2,2-Dimethyl-thiacyclohexane (CAS 16896-58-5), with molecular formula C7H14S and molecular weight 130.08 g/mol. IUPAC: 2,2-dimethylthiane.
Chemical Property Profile of 2,2-Dimethyl-thiacyclohexane
Property Insights of 2,2-Dimethyl-thiacyclohexane
The XLogP value of 2.6821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-thiacyclohexane. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2-Dimethyl-thiacyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-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 2,2-Dimethyl-thiacyclohexane?
The CAS number of 2,2-Dimethyl-thiacyclohexane is 16896-58-5.
What is the molecular formula of 2,2-Dimethyl-thiacyclohexane?
The molecular formula of 2,2-Dimethyl-thiacyclohexane is C7H14S.
What is the molecular weight of 2,2-Dimethyl-thiacyclohexane?
The molecular weight of 2,2-Dimethyl-thiacyclohexane is 130.08 g/mol.
Where can I buy 2,2-Dimethyl-thiacyclohexane?
You can request a quote for 2,2-Dimethyl-thiacyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-thiacyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-thiacyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.