Trimethylthiirane
TL;DR: Trimethylthiirane (CAS 53971-47-4) is a chemical compound with molecular formula C5H10S and molecular weight 102.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3-trimethylthiirane
Also Known As: Trimethylthiirane, 2,2,3-trimethylthiirane, Thiirane, trimethyl-, Thiirane,2,2,3-trimethyl-, trimethylethylene sulfide
| Molecular Formula | C5H10S |
|---|---|
| Molecular Weight | 102.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 102.05032 |
| Heavy Atoms | 6 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 53971-47-4 |
|---|---|
| SMILES | CC1C(S1)(C)C |
| InChIKey | TWNJQGQIVBDVAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylthiirane (CAS 53971-47-4), with molecular formula C5H10S and molecular weight 102.05 g/mol. IUPAC: 2,2,3-trimethylthiirane.
Chemical Property Profile of Trimethylthiirane
Property Insights of Trimethylthiirane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylthiirane. With a topological polar surface area (TPSA) of 25.3 Ų, Trimethylthiirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylthiirane 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 Trimethylthiirane?
The CAS number of Trimethylthiirane is 53971-47-4.
What is the molecular formula of Trimethylthiirane?
The molecular formula of Trimethylthiirane is C5H10S.
What is the molecular weight of Trimethylthiirane?
The molecular weight of Trimethylthiirane is 102.05 g/mol.
Where can I buy Trimethylthiirane?
You can request a quote for Trimethylthiirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylthiirane?
Yes, KEHONG BIO provides custom synthesis services for Trimethylthiirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.