2-Butyltetrahydrothiophene
TL;DR: 2-Butyltetrahydrothiophene (CAS 1613-49-6) is a chemical compound with molecular formula C8H16S and molecular weight 144.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylthiolane
Also Known As: 2-butylthiolane, 2-Butyltetrahydrothiophene, 2-Butylthiophane, 2-Butyl-thiolane, butylthiacyclopentane
| Molecular Formula | C8H16S |
|---|---|
| Molecular Weight | 144.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.09727 |
| Heavy Atoms | 9 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 1613-49-6 |
|---|---|
| SMILES | CCCCC1CCCS1 |
| InChIKey | NBPQJOLVXAKDFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butyltetrahydrothiophene (CAS 1613-49-6), with molecular formula C8H16S and molecular weight 144.10 g/mol. IUPAC: 2-butylthiolane.
Chemical Property Profile of 2-Butyltetrahydrothiophene
Property Insights of 2-Butyltetrahydrothiophene
The XLogP value of 3.2 indicates that 2-Butyltetrahydrothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2-Butyltetrahydrothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyltetrahydrothiophene 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 2-Butyltetrahydrothiophene?
The CAS number of 2-Butyltetrahydrothiophene is 1613-49-6.
What is the molecular formula of 2-Butyltetrahydrothiophene?
The molecular formula of 2-Butyltetrahydrothiophene is C8H16S.
What is the molecular weight of 2-Butyltetrahydrothiophene?
The molecular weight of 2-Butyltetrahydrothiophene is 144.10 g/mol.
Where can I buy 2-Butyltetrahydrothiophene?
You can request a quote for 2-Butyltetrahydrothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyltetrahydrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyltetrahydrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.