3,4-Bis(chloromethyl)-2,5-dimethylthiophene
TL;DR: 3,4-Bis(chloromethyl)-2,5-dimethylthiophene (CAS 53960-29-5) is a chemical compound with molecular formula C8H10Cl2S and molecular weight 207.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(chloromethyl)-2,5-dimethylthiophene
Also Known As: 3,4-Bis(chloromethyl)-2,5-dimethylthiophene, 7663AB, 3,4-bis-chloromethyl-2,5-dimethyl-thiophene, 3,4-BIS -2,5-DIMETHYLTHIOPHENE, 3,4-bischloromethyl-2,5-dimethylthiophene
| Molecular Formula | C8H10Cl2S |
|---|---|
| Molecular Weight | 207.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.98802 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 53960-29-5 |
|---|---|
| SMILES | CC1=C(C(=C(S1)C)CCl)CCl |
| InChIKey | UOAVLAVHDBWBGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Bis(chloromethyl)-2,5-dimethylthiophene (CAS 53960-29-5), with molecular formula C8H10Cl2S and molecular weight 207.99 g/mol. IUPAC: 3,4-bis(chloromethyl)-2,5-dimethylthiophene.
Chemical Property Profile of 3,4-Bis(chloromethyl)-2,5-dimethylthiophene
Property Insights of 3,4-Bis(chloromethyl)-2,5-dimethylthiophene
The XLogP value of 3.2 indicates that 3,4-Bis(chloromethyl)-2,5-dimethylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 3,4-Bis(chloromethyl)-2,5-dimethylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Bis(chloromethyl)-2,5-dimethylthiophene 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 3,4-Bis(chloromethyl)-2,5-dimethylthiophene?
The CAS number of 3,4-Bis(chloromethyl)-2,5-dimethylthiophene is 53960-29-5.
What is the molecular formula of 3,4-Bis(chloromethyl)-2,5-dimethylthiophene?
The molecular formula of 3,4-Bis(chloromethyl)-2,5-dimethylthiophene is C8H10Cl2S.
What is the molecular weight of 3,4-Bis(chloromethyl)-2,5-dimethylthiophene?
The molecular weight of 3,4-Bis(chloromethyl)-2,5-dimethylthiophene is 207.99 g/mol.
Where can I buy 3,4-Bis(chloromethyl)-2,5-dimethylthiophene?
You can request a quote for 3,4-Bis(chloromethyl)-2,5-dimethylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Bis(chloromethyl)-2,5-dimethylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Bis(chloromethyl)-2,5-dimethylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.