Benzothiophene, 4,5,6,7-tetrahydro-
TL;DR: Benzothiophene, 4,5,6,7-tetrahydro- (CAS 13129-17-4) is a chemical compound with molecular formula C8H10S and molecular weight 138.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrahydro-1-benzothiophene
Also Known As: 4,5,6,7-Tetrahydrobenzo[b]thiophene, 4,5,6,7-tetrahydro-1-benzothiophene, 4,5,6,7-tetrahydrobenzothiophene, Benzo[b]thiophene, 4,5,6,7-tetrahydro-, 4,5,6,7-Tetrahydro-2-benzothiophene
| Molecular Formula | C8H10S |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.05032 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 13129-17-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CS2 |
| InChIKey | CBKDCOKSXCTDAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiophene, 4,5,6,7-tetrahydro- (CAS 13129-17-4), with molecular formula C8H10S and molecular weight 138.05 g/mol. IUPAC: 4,5,6,7-tetrahydro-1-benzothiophene.
Chemical Property Profile of Benzothiophene, 4,5,6,7-tetrahydro-
Property Insights of Benzothiophene, 4,5,6,7-tetrahydro-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiophene, 4,5,6,7-tetrahydro-. With a topological polar surface area (TPSA) of 28.2 Ų, Benzothiophene, 4,5,6,7-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiophene, 4,5,6,7-tetrahydro- has 0 hydrogen bond donor(s) and 1 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 Benzothiophene, 4,5,6,7-tetrahydro-?
The CAS number of Benzothiophene, 4,5,6,7-tetrahydro- is 13129-17-4.
What is the molecular formula of Benzothiophene, 4,5,6,7-tetrahydro-?
The molecular formula of Benzothiophene, 4,5,6,7-tetrahydro- is C8H10S.
What is the molecular weight of Benzothiophene, 4,5,6,7-tetrahydro-?
The molecular weight of Benzothiophene, 4,5,6,7-tetrahydro- is 138.05 g/mol.
Where can I buy Benzothiophene, 4,5,6,7-tetrahydro-?
You can request a quote for Benzothiophene, 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 Benzothiophene, 4,5,6,7-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiophene, 4,5,6,7-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.