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Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro-
TL;DR: Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro- (CAS 55059-24-0) is a chemical compound with molecular formula C12H18S2 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene
Also Known As: 2-4,5,6,7-tetrahydrobenzo[b]thiophene, 2- -4,5,6,7-tetrahydrobenzo[b]thiophene, Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro-, 2-(Butylthio)-4,5,6,7-tetrahydrobenzo[b]thiophene, 2-butylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene
| Molecular Formula | C12H18S2 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.08499 |
| Heavy Atoms | 14 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 55059-24-0 |
|---|---|
| SMILES | CCCCSC1=CC2=C(S1)CCCC2 |
| InChIKey | WFBMUZXOMVUHHD-UHFFFAOYSA-N |
Product Overview
Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro- (CAS 55059-24-0), with molecular formula C12H18S2 and molecular weight 226.08 g/mol. IUPAC: 2-butylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene.
Chemical Property Profile of Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro-
Property Insights of Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro-
The XLogP value of 4.9 indicates that Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro- 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)-4,5,6,7-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro- 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)-4,5,6,7-tetrahydro-?
The CAS number of Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro- is 55059-24-0.
What is the molecular formula of Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro-?
The molecular formula of Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro- is C12H18S2.
What is the molecular weight of Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro-?
The molecular weight of Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro- is 226.08 g/mol.
Where can I buy Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro-?
You can request a quote for Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro- 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)-4,5,6,7-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene, 2-(butylthio)-4,5,6,7-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.