3,3-Dimethoxytetrahydrothiophene
TL;DR: 3,3-Dimethoxytetrahydrothiophene (CAS 959027-52-2) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethoxythiolane
Also Known As: 3,3-dimethoxythiolane, 3,3-Dimethoxytetrahydrothiophene, tetrahydro-3,3-dimethoxythiophene, F2189-1041
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 959027-52-2 |
|---|---|
| SMILES | COC1(CCSC1)OC |
| InChIKey | NVZVVDPQZSBBNV-UHFFFAOYSA-N |
Product Overview
3,3-Dimethoxytetrahydrothiophene (CAS 959027-52-2), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: 3,3-dimethoxythiolane.
Chemical Property Profile of 3,3-Dimethoxytetrahydrothiophene
Property Insights of 3,3-Dimethoxytetrahydrothiophene
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethoxytetrahydrothiophene. With a topological polar surface area (TPSA) of 43.8 Ų, 3,3-Dimethoxytetrahydrothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethoxytetrahydrothiophene has 0 hydrogen bond donor(s) and 3 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-Dimethoxytetrahydrothiophene?
The CAS number of 3,3-Dimethoxytetrahydrothiophene is 959027-52-2.
What is the molecular formula of 3,3-Dimethoxytetrahydrothiophene?
The molecular formula of 3,3-Dimethoxytetrahydrothiophene is C6H12O2S.
What is the molecular weight of 3,3-Dimethoxytetrahydrothiophene?
The molecular weight of 3,3-Dimethoxytetrahydrothiophene is 148.06 g/mol.
Where can I buy 3,3-Dimethoxytetrahydrothiophene?
You can request a quote for 3,3-Dimethoxytetrahydrothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethoxytetrahydrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethoxytetrahydrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.