2,5-Dimethyltetrahydrothiophene 1,1-dioxide
TL;DR: 2,5-Dimethyltetrahydrothiophene 1,1-dioxide (CAS 1003-77-6) 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.
2,5-dimethylthiolane 1,1-dioxide
Also Known As: 2,5-Dimethyltetrahydrothiophene 1,1-dioxide, 2,5-dimethylthiolane-1,1-dione, 2,5-dimethylthiolane 1,1-dioxide, 2,5-dimethyl-tetrahydro-thiophene-1,1-dioxide, Thiophene, tetrahydro-2,5-dimethyl-, 1,1-dioxide
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 1003-77-6 |
|---|---|
| SMILES | CC1CCC(S1(=O)=O)C |
| InChIKey | SHTXSOQYINWPDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethyltetrahydrothiophene 1,1-dioxide (CAS 1003-77-6), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: 2,5-dimethylthiolane 1,1-dioxide.
Chemical Property Profile of 2,5-Dimethyltetrahydrothiophene 1,1-dioxide
Property Insights of 2,5-Dimethyltetrahydrothiophene 1,1-dioxide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyltetrahydrothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 2,5-Dimethyltetrahydrothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyltetrahydrothiophene 1,1-dioxide has 0 hydrogen bond donor(s) and 2 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 2,5-Dimethyltetrahydrothiophene 1,1-dioxide?
The CAS number of 2,5-Dimethyltetrahydrothiophene 1,1-dioxide is 1003-77-6.
What is the molecular formula of 2,5-Dimethyltetrahydrothiophene 1,1-dioxide?
The molecular formula of 2,5-Dimethyltetrahydrothiophene 1,1-dioxide is C6H12O2S.
What is the molecular weight of 2,5-Dimethyltetrahydrothiophene 1,1-dioxide?
The molecular weight of 2,5-Dimethyltetrahydrothiophene 1,1-dioxide is 148.06 g/mol.
Where can I buy 2,5-Dimethyltetrahydrothiophene 1,1-dioxide?
You can request a quote for 2,5-Dimethyltetrahydrothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyltetrahydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyltetrahydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.