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Benzo[b]thiophene, 3-(octylthio)-
TL;DR: Benzo[b]thiophene, 3-(octylthio)- (CAS 54965-35-4) is a chemical compound with molecular formula C16H22S2 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octylsulfanyl-1-benzothiophene
Also Known As: 3-(Octylthio)benzo[b]thiophene, Benzo[b]thiophene, 3-(octylthio)-, 3-octylsulfanyl-1-benzothiophene, 3-(Octylsulfanyl)-1-benzothiophene, 3-(Octylsulfanyl)-1-benzothiophene #
| Molecular Formula | C16H22S2 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.1163 |
| Heavy Atoms | 18 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 54965-35-4 |
|---|---|
| SMILES | CCCCCCCCSC1=CSC2=CC=CC=C21 |
| InChIKey | CZGOOVMLQLLZIU-UHFFFAOYSA-N |
Product Overview
Benzo[b]thiophene, 3-(octylthio)- (CAS 54965-35-4), with molecular formula C16H22S2 and molecular weight 278.12 g/mol. IUPAC: 3-octylsulfanyl-1-benzothiophene.
Chemical Property Profile of Benzo[b]thiophene, 3-(octylthio)-
Property Insights of Benzo[b]thiophene, 3-(octylthio)-
The XLogP value of 6.9 indicates that Benzo[b]thiophene, 3-(octylthio)- 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-(octylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene, 3-(octylthio)- 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-(octylthio)-?
The CAS number of Benzo[b]thiophene, 3-(octylthio)- is 54965-35-4.
What is the molecular formula of Benzo[b]thiophene, 3-(octylthio)-?
The molecular formula of Benzo[b]thiophene, 3-(octylthio)- is C16H22S2.
What is the molecular weight of Benzo[b]thiophene, 3-(octylthio)-?
The molecular weight of Benzo[b]thiophene, 3-(octylthio)- is 278.12 g/mol.
Where can I buy Benzo[b]thiophene, 3-(octylthio)-?
You can request a quote for Benzo[b]thiophene, 3-(octylthio)- 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-(octylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene, 3-(octylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.