3-Butyl-1lambda~4~-thiolan-1-one
TL;DR: 3-Butyl-1lambda~4~-thiolan-1-one (CAS 93111-29-6) is a chemical compound with molecular formula C8H16OS and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylthiolane 1-oxide
Also Known As: 3-Butylthiolane 1-oxide, Tetrahydro-3-butylthiophene 1-oxide, 3-butyl-thiolane-1-oxide, 3-butyltetramethylene sulfoxide, 3-Butyl-1lambda~4~-thiolan-1-one
| Molecular Formula | C8H16OS |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 1.9452 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.0922 |
| Heavy Atoms | 10 |
| Complexity | 122.426 |
Chemical Identifiers
| CAS Number | 93111-29-6 |
|---|---|
| SMILES | CCCCC1CCS(=O)C1 |
Product Overview
3-Butyl-1lambda~4~-thiolan-1-one (CAS 93111-29-6), with molecular formula C8H16OS and molecular weight 160.09 g/mol. IUPAC: 3-butylthiolane 1-oxide.
Chemical Property Profile of 3-Butyl-1lambda~4~-thiolan-1-one
Property Insights of 3-Butyl-1lambda~4~-thiolan-1-one
The XLogP value of 1.9452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-1lambda~4~-thiolan-1-one. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Butyl-1lambda~4~-thiolan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-1lambda~4~-thiolan-1-one 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 3-Butyl-1lambda~4~-thiolan-1-one?
The CAS number of 3-Butyl-1lambda~4~-thiolan-1-one is 93111-29-6.
What is the molecular formula of 3-Butyl-1lambda~4~-thiolan-1-one?
The molecular formula of 3-Butyl-1lambda~4~-thiolan-1-one is C8H16OS.
What is the molecular weight of 3-Butyl-1lambda~4~-thiolan-1-one?
The molecular weight of 3-Butyl-1lambda~4~-thiolan-1-one is 160.09 g/mol.
Where can I buy 3-Butyl-1lambda~4~-thiolan-1-one?
You can request a quote for 3-Butyl-1lambda~4~-thiolan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-1lambda~4~-thiolan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-1lambda~4~-thiolan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.