![Benzo[b]thiophene, 3,4,7-trimethyl- structure](/static/products/100/1008-57-7.webp)
Benzo[b]thiophene, 3,4,7-trimethyl-
TL;DR: Benzo[b]thiophene, 3,4,7-trimethyl- (CAS 1008-57-7) is a chemical compound with molecular formula C11H12S and molecular weight 176.06598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,7-trimethyl-1-benzothiophene
Also Known As: 3,4,7-trimethylbenzo[b]thiophene, 3,4,7-trimethylbenzothiophene, 3,4,7-trimethyl-1-benzothiophene, Benzo[b]thiophene, 3,4,7-trimethyl-, 3,4,7-trimethyl-benzo[b]thiophene
Technical Specifications
| Molecular Formula | C11H12S |
| Molecular Weight | 176.06598 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.06598 Da |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
| SMILES | CC1=C2C(=CSC2=C(C=C1)C)C |
| InChIKey | SIEUMLZKDAPQPC-UHFFFAOYSA-N |
Chemical Property Profile of Benzo[b]thiophene, 3,4,7-trimethyl-
Property Insights of Benzo[b]thiophene, 3,4,7-trimethyl-
The XLogP value of 4.0 indicates that Benzo[b]thiophene, 3,4,7-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Benzo[b]thiophene, 3,4,7-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene, 3,4,7-trimethyl- 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
What is the CAS number of Benzo[b]thiophene, 3,4,7-trimethyl-?
The CAS number of Benzo[b]thiophene, 3,4,7-trimethyl- is 1008-57-7.
What is the molecular formula of Benzo[b]thiophene, 3,4,7-trimethyl-?
The molecular formula of Benzo[b]thiophene, 3,4,7-trimethyl- is C11H12S.
What is the molecular weight of Benzo[b]thiophene, 3,4,7-trimethyl-?
The molecular weight of Benzo[b]thiophene, 3,4,7-trimethyl- is 176.06598 g/mol.
Where can I buy Benzo[b]thiophene, 3,4,7-trimethyl-?
You can request a quote for Benzo[b]thiophene, 3,4,7-trimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo[b]thiophene, 3,4,7-trimethyl-?
Yes, CoreyChem provides custom synthesis services for Benzo[b]thiophene, 3,4,7-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.