3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene
TL;DR: 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene (CAS 56909-07-0) is a chemical compound with molecular formula C9H8Cl2S and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene
Also Known As: chloromethyl thiophene, CHLOROMETHYL THIOPHENE), 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene, 3-Chloro-2-(chloromethyl)-2,3-dihydrobenzo[b]thiophene, Benzo[b]thiophene, 3-chloro-2-(chloromethyl)-2,3-dihydro-
| Molecular Formula | C9H8Cl2S |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.97238 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 56909-07-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C(S2)CCl)Cl |
| InChIKey | YBJYDZIULVFOOA-UHFFFAOYSA-N |
Product Overview
3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene (CAS 56909-07-0), with molecular formula C9H8Cl2S and molecular weight 217.97 g/mol. IUPAC: 3-chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene.
Chemical Property Profile of 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene
Property Insights of 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene
The XLogP value of 3.3 indicates that 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene 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-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene?
The CAS number of 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene is 56909-07-0.
What is the molecular formula of 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene?
The molecular formula of 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene is C9H8Cl2S.
What is the molecular weight of 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene?
The molecular weight of 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene is 217.97 g/mol.
Where can I buy 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene?
You can request a quote for 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-(chloromethyl)-2,3-dihydro-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.