2-n-Butylthiolane, S,S-dioxide
TL;DR: 2-n-Butylthiolane, S,S-dioxide (CAS 71053-03-7) is a chemical compound with molecular formula C8H16O2S and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylthiolane 1,1-dioxide
Also Known As: butyltetramethylene sulfone, 2-butylthiolane 1,1-dioxide, 2-n-Butylthiolane, S,S-dioxide, 2-Butyltetrahydrothiophene 1,1-dioxide, 2-Butyltetrahydrothiophene 1,1-dioxide #
| Molecular Formula | C8H16O2S |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.0871 |
| Heavy Atoms | 11 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 71053-03-7 |
|---|---|
| SMILES | CCCCC1CCCS1(=O)=O |
| InChIKey | YZERTSBRDCEIGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-n-Butylthiolane, S,S-dioxide (CAS 71053-03-7), with molecular formula C8H16O2S and molecular weight 176.09 g/mol. IUPAC: 2-butylthiolane 1,1-dioxide.
Chemical Property Profile of 2-n-Butylthiolane, S,S-dioxide
Property Insights of 2-n-Butylthiolane, S,S-dioxide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-n-Butylthiolane, S,S-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 2-n-Butylthiolane, S,S-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-n-Butylthiolane, S,S-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 2-n-Butylthiolane, S,S-dioxide?
The CAS number of 2-n-Butylthiolane, S,S-dioxide is 71053-03-7.
What is the molecular formula of 2-n-Butylthiolane, S,S-dioxide?
The molecular formula of 2-n-Butylthiolane, S,S-dioxide is C8H16O2S.
What is the molecular weight of 2-n-Butylthiolane, S,S-dioxide?
The molecular weight of 2-n-Butylthiolane, S,S-dioxide is 176.09 g/mol.
Where can I buy 2-n-Butylthiolane, S,S-dioxide?
You can request a quote for 2-n-Butylthiolane, S,S-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-n-Butylthiolane, S,S-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-n-Butylthiolane, S,S-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.