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Benzo[b]thiophene, 3-(pentylthio)-
TL;DR: Benzo[b]thiophene, 3-(pentylthio)- (CAS 54833-37-3) is a chemical compound with molecular formula C13H16S2 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pentylsulfanyl-1-benzothiophene
Also Known As: 3-(Pentylthio)benzo[b]thiophene, Benzo[b]thiophene, 3-(pentylthio)-, 3-pentylsulfanyl-1-benzothiophene, 3-(Pentylsulfanyl)-1-benzothiophene, 3-(Pentylsulfanyl)-1-benzothiophene #
| Molecular Formula | C13H16S2 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.06934 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 54833-37-3 |
|---|---|
| SMILES | CCCCCSC1=CSC2=CC=CC=C21 |
| InChIKey | SYJFZNIZOLANMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo[b]thiophene, 3-(pentylthio)- (CAS 54833-37-3), with molecular formula C13H16S2 and molecular weight 236.07 g/mol. IUPAC: 3-pentylsulfanyl-1-benzothiophene.
Chemical Property Profile of Benzo[b]thiophene, 3-(pentylthio)-
Property Insights of Benzo[b]thiophene, 3-(pentylthio)-
The XLogP value of 5.2 indicates that Benzo[b]thiophene, 3-(pentylthio)- 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, 3-(pentylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene, 3-(pentylthio)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[b]thiophene, 3-(pentylthio)-?
The CAS number of Benzo[b]thiophene, 3-(pentylthio)- is 54833-37-3.
What is the molecular formula of Benzo[b]thiophene, 3-(pentylthio)-?
The molecular formula of Benzo[b]thiophene, 3-(pentylthio)- is C13H16S2.
What is the molecular weight of Benzo[b]thiophene, 3-(pentylthio)-?
The molecular weight of Benzo[b]thiophene, 3-(pentylthio)- is 236.07 g/mol.
Where can I buy Benzo[b]thiophene, 3-(pentylthio)-?
You can request a quote for Benzo[b]thiophene, 3-(pentylthio)- 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, 3-(pentylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene, 3-(pentylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.