3-(Chloromethyl)benzo(b)thiophene
TL;DR: 3-(Chloromethyl)benzo(b)thiophene (CAS 3216-47-5) is a chemical compound with molecular formula C9H7ClS and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-1-benzothiophene
Also Known As: 3-(Chloromethyl)benzo[b]thiophene, 3-(chloromethyl)-1-benzothiophene, 3-chloromethylbenzo[b]thiophene, 3-(Chloromethyl)benzo(b)thiophene, 3-chloromethylbenzothiophene
| Molecular Formula | C9H7ClS |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.9957 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 3216-47-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)CCl |
| InChIKey | JIXGRXJTSCZWNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Chloromethyl)benzo(b)thiophene (CAS 3216-47-5), with molecular formula C9H7ClS and molecular weight 182.00 g/mol. IUPAC: 3-(chloromethyl)-1-benzothiophene.
Chemical Property Profile of 3-(Chloromethyl)benzo(b)thiophene
Property Insights of 3-(Chloromethyl)benzo(b)thiophene
The XLogP value of 3.3 indicates that 3-(Chloromethyl)benzo(b)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 3-(Chloromethyl)benzo(b)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)benzo(b)thiophene 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 3-(Chloromethyl)benzo(b)thiophene?
The CAS number of 3-(Chloromethyl)benzo(b)thiophene is 3216-47-5.
What is the molecular formula of 3-(Chloromethyl)benzo(b)thiophene?
The molecular formula of 3-(Chloromethyl)benzo(b)thiophene is C9H7ClS.
What is the molecular weight of 3-(Chloromethyl)benzo(b)thiophene?
The molecular weight of 3-(Chloromethyl)benzo(b)thiophene is 182.00 g/mol.
Where can I buy 3-(Chloromethyl)benzo(b)thiophene?
You can request a quote for 3-(Chloromethyl)benzo(b)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)benzo(b)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)benzo(b)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.