Benzo(b)thiophene, chloro-
TL;DR: Benzo(b)thiophene, chloro- (CAS 7342-85-0) is a chemical compound with molecular formula C8H5ClS and molecular weight 167.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-benzothiophene
Also Known As: 2-Chlorobenzo[b]thiophene, 2-chloro-1-benzothiophene, Thianaphthene, chloro-, Benzo[b]thiophene, 2-chloro-, 2-chlorobenzothiophene
| Molecular Formula | C8H5ClS |
|---|---|
| Molecular Weight | 167.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.98004 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 7342-85-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(S2)Cl |
| InChIKey | CPYLFALFYKCLRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(b)thiophene, chloro- (CAS 7342-85-0), with molecular formula C8H5ClS and molecular weight 167.98 g/mol. IUPAC: 2-chloro-1-benzothiophene.
Chemical Property Profile of Benzo(b)thiophene, chloro-
Property Insights of Benzo(b)thiophene, chloro-
The XLogP value of 3.9 indicates that Benzo(b)thiophene, chloro- 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, chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene, chloro- 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, chloro-?
The CAS number of Benzo(b)thiophene, chloro- is 7342-85-0.
What is the molecular formula of Benzo(b)thiophene, chloro-?
The molecular formula of Benzo(b)thiophene, chloro- is C8H5ClS.
What is the molecular weight of Benzo(b)thiophene, chloro-?
The molecular weight of Benzo(b)thiophene, chloro- is 167.98 g/mol.
Where can I buy Benzo(b)thiophene, chloro-?
You can request a quote for Benzo(b)thiophene, chloro- 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, chloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene, chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.