Benzo(b)thiophene, 2,3-dimethyl-
TL;DR: Benzo(b)thiophene, 2,3-dimethyl- (CAS 4923-91-5) is a chemical compound with molecular formula C10H10S and molecular weight 162.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethyl-1-benzothiophene
Also Known As: 2,3-Dimethylbenzo[b]thiophene, 2,3-dimethyl-1-benzothiophene, 2,3-DIMETHYLBENZOTHIOPHENE, Benzo(b)thiophene, 2,3-dimethyl-, DIMETHYLBENZOTHIOPHENE
| Molecular Formula | C10H10S |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.05032 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 4923-91-5 |
|---|---|
| SMILES | CC1=C(SC2=CC=CC=C12)C |
| InChIKey | ACHMHHCOSAKQSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(b)thiophene, 2,3-dimethyl- (CAS 4923-91-5), with molecular formula C10H10S and molecular weight 162.05 g/mol. IUPAC: 2,3-dimethyl-1-benzothiophene.
Chemical Property Profile of Benzo(b)thiophene, 2,3-dimethyl-
Property Insights of Benzo(b)thiophene, 2,3-dimethyl-
The XLogP value of 3.7 indicates that Benzo(b)thiophene, 2,3-dimethyl- 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, 2,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene, 2,3-dimethyl- 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 Benzo(b)thiophene, 2,3-dimethyl-?
The CAS number of Benzo(b)thiophene, 2,3-dimethyl- is 4923-91-5.
What is the molecular formula of Benzo(b)thiophene, 2,3-dimethyl-?
The molecular formula of Benzo(b)thiophene, 2,3-dimethyl- is C10H10S.
What is the molecular weight of Benzo(b)thiophene, 2,3-dimethyl-?
The molecular weight of Benzo(b)thiophene, 2,3-dimethyl- is 162.05 g/mol.
Where can I buy Benzo(b)thiophene, 2,3-dimethyl-?
You can request a quote for Benzo(b)thiophene, 2,3-dimethyl- 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, 2,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene, 2,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.