Thiophene, 1,1-dioxide
TL;DR: Thiophene, 1,1-dioxide (CAS 27092-46-2) is a chemical compound with molecular formula C4H4O2S and molecular weight 115.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophene 1,1-dioxide
Also Known As: Thiophene dioxide, Thiophene, 1,1-dioxide, Thiophene sulfone, thiophene 1,1-dioxide, Butadiene cyclic sulfone
| Molecular Formula | C4H4O2S |
|---|---|
| Molecular Weight | 115.99 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 115.9932 |
| Heavy Atoms | 7 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 27092-46-2 |
|---|---|
| SMILES | C1=CS(=O)(=O)C=C1 |
| InChIKey | UMHFSEWKWORSLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiophene, 1,1-dioxide (CAS 27092-46-2), with molecular formula C4H4O2S and molecular weight 115.99 g/mol. IUPAC: thiophene 1,1-dioxide.
Chemical Property Profile of Thiophene, 1,1-dioxide
Property Insights of Thiophene, 1,1-dioxide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiophene, 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, Thiophene, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophene, 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 Thiophene, 1,1-dioxide?
The CAS number of Thiophene, 1,1-dioxide is 27092-46-2.
What is the molecular formula of Thiophene, 1,1-dioxide?
The molecular formula of Thiophene, 1,1-dioxide is C4H4O2S.
What is the molecular weight of Thiophene, 1,1-dioxide?
The molecular weight of Thiophene, 1,1-dioxide is 115.99 g/mol.
Where can I buy Thiophene, 1,1-dioxide?
You can request a quote for Thiophene, 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 Thiophene, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Thiophene, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.