![Benzo[b]thiophene, 2-(butylthio)- structure](/static/products/5496/54965-46-7.webp)
Benzo[b]thiophene, 2-(butylthio)-
TL;DR: Benzo[b]thiophene, 2-(butylthio)- (CAS 54965-46-7) is a chemical compound with molecular formula C12H14S2 and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-1-benzothiophene
Also Known As: 2-(Butylthio)benzo[b]thiophene, Benzo[b]thiophene, 2-(butylthio)-, 2-butylsulfanyl-1-benzothiophene, 2-(Butylsulfanyl)-1-benzothiophene, 2-(Butylsulfanyl)-1-benzothiophene #
| Molecular Formula | C12H14S2 |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0537 |
| Heavy Atoms | 14 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 54965-46-7 |
|---|---|
| SMILES | CCCCSC1=CC2=CC=CC=C2S1 |
| InChIKey | UPSPKLMPXHDSGU-UHFFFAOYSA-N |
Product Overview
Benzo[b]thiophene, 2-(butylthio)- (CAS 54965-46-7), with molecular formula C12H14S2 and molecular weight 222.05 g/mol. IUPAC: 2-butylsulfanyl-1-benzothiophene.
Chemical Property Profile of Benzo[b]thiophene, 2-(butylthio)-
Property Insights of Benzo[b]thiophene, 2-(butylthio)-
The XLogP value of 5.0 indicates that Benzo[b]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, Benzo[b]thiophene, 2-(butylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]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 Benzo[b]thiophene, 2-(butylthio)-?
The CAS number of Benzo[b]thiophene, 2-(butylthio)- is 54965-46-7.
What is the molecular formula of Benzo[b]thiophene, 2-(butylthio)-?
The molecular formula of Benzo[b]thiophene, 2-(butylthio)- is C12H14S2.
What is the molecular weight of Benzo[b]thiophene, 2-(butylthio)-?
The molecular weight of Benzo[b]thiophene, 2-(butylthio)- is 222.05 g/mol.
Where can I buy Benzo[b]thiophene, 2-(butylthio)-?
You can request a quote for Benzo[b]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 Benzo[b]thiophene, 2-(butylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene, 2-(butylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.