Thiophene, 2-(butylthio)-
TL;DR: Thiophene, 2-(butylthio)- (CAS 3988-71-4) is a chemical compound with molecular formula C8H12S2 and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanylthiophene
Also Known As: Thiophene, 2-(butylthio)-, 2-butylsulfanylthiophene, 2-(Butylsulfanyl)thiophene, 2-(butylthio)thiophene, 2-(Butylthio)-thiophene
| Molecular Formula | C8H12S2 |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.03804 |
| Heavy Atoms | 10 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 3988-71-4 |
|---|---|
| SMILES | CCCCSC1=CC=CS1 |
| InChIKey | PTTSDBWFNLNXII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiophene, 2-(butylthio)- (CAS 3988-71-4), with molecular formula C8H12S2 and molecular weight 172.04 g/mol. IUPAC: 2-butylsulfanylthiophene.
Chemical Property Profile of Thiophene, 2-(butylthio)-
Property Insights of Thiophene, 2-(butylthio)-
The XLogP value of 3.7 indicates that Thiophene, 2-(butylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, Thiophene, 2-(butylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophene, 2-(butylthio)- 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 Thiophene, 2-(butylthio)-?
The CAS number of Thiophene, 2-(butylthio)- is 3988-71-4.
What is the molecular formula of Thiophene, 2-(butylthio)-?
The molecular formula of Thiophene, 2-(butylthio)- is C8H12S2.
What is the molecular weight of Thiophene, 2-(butylthio)-?
The molecular weight of Thiophene, 2-(butylthio)- is 172.04 g/mol.
Where can I buy Thiophene, 2-(butylthio)-?
You can request a quote for Thiophene, 2-(butylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene, 2-(butylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Thiophene, 2-(butylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.