3,3-Dimethyl-thiacyclopentane
TL;DR: 3,3-Dimethyl-thiacyclopentane (CAS 5161-76-2) is a chemical compound with molecular formula C6H12S and molecular weight 116.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylthiolane
Also Known As: 3,3-dimethylthiolane, 3,3-dimethyl-thiacyclopentane, Thiophene, tetrahydro-3,3-dimethyl-, 3,3-Dimethyltetrahydrothiophene, Thiophene,tetrahydro-3,3-dimethyl
| Molecular Formula | C6H12S |
|---|---|
| Molecular Weight | 116.07 g/mol |
| LogP | 2.1495 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.06597 |
| Heavy Atoms | 7 |
| Complexity | 58.580273 |
Chemical Identifiers
| CAS Number | 5161-76-2 |
|---|---|
| SMILES | CC1(CCSC1)C |
Product Overview
3,3-Dimethyl-thiacyclopentane (CAS 5161-76-2), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: 3,3-dimethylthiolane.
Chemical Property Profile of 3,3-Dimethyl-thiacyclopentane
Property Insights of 3,3-Dimethyl-thiacyclopentane
The XLogP value of 2.1495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-thiacyclopentane. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3-Dimethyl-thiacyclopentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-thiacyclopentane 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 3,3-Dimethyl-thiacyclopentane?
The CAS number of 3,3-Dimethyl-thiacyclopentane is 5161-76-2.
What is the molecular formula of 3,3-Dimethyl-thiacyclopentane?
The molecular formula of 3,3-Dimethyl-thiacyclopentane is C6H12S.
What is the molecular weight of 3,3-Dimethyl-thiacyclopentane?
The molecular weight of 3,3-Dimethyl-thiacyclopentane is 116.07 g/mol.
Where can I buy 3,3-Dimethyl-thiacyclopentane?
You can request a quote for 3,3-Dimethyl-thiacyclopentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-thiacyclopentane?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-thiacyclopentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.