Thiirene, dimethyl-, 1,1-dioxide
TL;DR: Thiirene, dimethyl-, 1,1-dioxide (CAS 30646-57-2) is a chemical compound with molecular formula C4H6O2S and molecular weight 118.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethylthiirene 1,1-dioxide
Also Known As: Thiirene, dimethyl-, 1,1-dioxide, 2,3-dimethylthiirene 1,1-dioxide, Thiirene,dimethyl-1,1-dioxide-, 2,3-Dimethyl-1H-1lambda~6~-thiirene-1,1-dione, RefChem:385078
| Molecular Formula | C4H6O2S |
|---|---|
| Molecular Weight | 118.01 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.00885 |
| Heavy Atoms | 7 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 30646-57-2 |
|---|---|
| SMILES | CC1=C(S1(=O)=O)C |
| InChIKey | ICXAFQDIUMNVTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiirene, dimethyl-, 1,1-dioxide (CAS 30646-57-2), with molecular formula C4H6O2S and molecular weight 118.01 g/mol. IUPAC: 2,3-dimethylthiirene 1,1-dioxide.
Chemical Property Profile of Thiirene, dimethyl-, 1,1-dioxide
Property Insights of Thiirene, dimethyl-, 1,1-dioxide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiirene, dimethyl-, 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, Thiirene, dimethyl-, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiirene, dimethyl-, 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 Thiirene, dimethyl-, 1,1-dioxide?
The CAS number of Thiirene, dimethyl-, 1,1-dioxide is 30646-57-2.
What is the molecular formula of Thiirene, dimethyl-, 1,1-dioxide?
The molecular formula of Thiirene, dimethyl-, 1,1-dioxide is C4H6O2S.
What is the molecular weight of Thiirene, dimethyl-, 1,1-dioxide?
The molecular weight of Thiirene, dimethyl-, 1,1-dioxide is 118.01 g/mol.
Where can I buy Thiirene, dimethyl-, 1,1-dioxide?
You can request a quote for Thiirene, dimethyl-, 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 Thiirene, dimethyl-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Thiirene, dimethyl-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.