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Benzo[b]thiophene, 2-(hexylthio)-
TL;DR: Benzo[b]thiophene, 2-(hexylthio)- (CAS 55044-60-5) is a chemical compound with molecular formula C14H18S2 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexylsulfanyl-1-benzothiophene
Also Known As: 2- benzo[b]thiophene, 2-(Hexylthio)benzo[b]thiophene, Benzo[b]thiophene, 2-(hexylthio)-, 2-hexylsulfanyl-1-benzothiophene, 2-(Hexylsulfanyl)-1-benzothiophene
| Molecular Formula | C14H18S2 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.08499 |
| Heavy Atoms | 16 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 55044-60-5 |
|---|---|
| SMILES | CCCCCCSC1=CC2=CC=CC=C2S1 |
| InChIKey | RJWQZTCYMCCUSL-UHFFFAOYSA-N |
Product Overview
Benzo[b]thiophene, 2-(hexylthio)- (CAS 55044-60-5), with molecular formula C14H18S2 and molecular weight 250.08 g/mol. IUPAC: 2-hexylsulfanyl-1-benzothiophene.
Chemical Property Profile of Benzo[b]thiophene, 2-(hexylthio)-
Property Insights of Benzo[b]thiophene, 2-(hexylthio)-
The XLogP value of 6.1 indicates that Benzo[b]thiophene, 2-(hexylthio)- 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-(hexylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene, 2-(hexylthio)- 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, 2-(hexylthio)-?
The CAS number of Benzo[b]thiophene, 2-(hexylthio)- is 55044-60-5.
What is the molecular formula of Benzo[b]thiophene, 2-(hexylthio)-?
The molecular formula of Benzo[b]thiophene, 2-(hexylthio)- is C14H18S2.
What is the molecular weight of Benzo[b]thiophene, 2-(hexylthio)-?
The molecular weight of Benzo[b]thiophene, 2-(hexylthio)- is 250.08 g/mol.
Where can I buy Benzo[b]thiophene, 2-(hexylthio)-?
You can request a quote for Benzo[b]thiophene, 2-(hexylthio)- 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-(hexylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene, 2-(hexylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.