Thiirane, 2-(1,1-dimethylethyl)-
TL;DR: Thiirane, 2-(1,1-dimethylethyl)- (CAS 45434-29-5) is a chemical compound with molecular formula C6H12S and molecular weight 116.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylthiirane
Also Known As: 2-tert-butylthiirane, t-butyl thiirane, 2-(tert-Butyl)thiirane, Thiirane, 2-(1,1-dimethylethyl)-, J1.333.557E
| Molecular Formula | C6H12S |
|---|---|
| Molecular Weight | 116.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.06597 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 45434-29-5 |
|---|---|
| SMILES | CC(C)(C)C1CS1 |
| InChIKey | KEPSIDHSAFAUSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiirane, 2-(1,1-dimethylethyl)- (CAS 45434-29-5), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: 2-tert-butylthiirane.
Chemical Property Profile of Thiirane, 2-(1,1-dimethylethyl)-
Property Insights of Thiirane, 2-(1,1-dimethylethyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiirane, 2-(1,1-dimethylethyl)-. With a topological polar surface area (TPSA) of 25.3 Ų, Thiirane, 2-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiirane, 2-(1,1-dimethylethyl)- 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 Thiirane, 2-(1,1-dimethylethyl)-?
The CAS number of Thiirane, 2-(1,1-dimethylethyl)- is 45434-29-5.
What is the molecular formula of Thiirane, 2-(1,1-dimethylethyl)-?
The molecular formula of Thiirane, 2-(1,1-dimethylethyl)- is C6H12S.
What is the molecular weight of Thiirane, 2-(1,1-dimethylethyl)-?
The molecular weight of Thiirane, 2-(1,1-dimethylethyl)- is 116.07 g/mol.
Where can I buy Thiirane, 2-(1,1-dimethylethyl)-?
You can request a quote for Thiirane, 2-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiirane, 2-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Thiirane, 2-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.