3,4-Dichlorothiophene
TL;DR: 3,4-Dichlorothiophene (CAS 17249-76-2) is a chemical compound with molecular formula C4H2Cl2S and molecular weight 151.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichlorothiophene
Also Known As: 3,4-dichlorothiophene, Thiophene, 3,4-dichloro-, 3,4-Dichlor-thiophen, 3,4-dichloro-thiophene
| Molecular Formula | C4H2Cl2S |
|---|---|
| Molecular Weight | 151.93 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.92543 |
| Heavy Atoms | 7 |
| Complexity | 58.0 |
Chemical Identifiers
| CAS Number | 17249-76-2 |
|---|---|
| SMILES | C1=C(C(=CS1)Cl)Cl |
| InChIKey | QVFXSOFIEKYPOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorothiophene (CAS 17249-76-2), with molecular formula C4H2Cl2S and molecular weight 151.93 g/mol. IUPAC: 3,4-dichlorothiophene.
Chemical Property Profile of 3,4-Dichlorothiophene
Property Insights of 3,4-Dichlorothiophene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichlorothiophene. With a topological polar surface area (TPSA) of 28.2 Ų, 3,4-Dichlorothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorothiophene 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-Dichlorothiophene?
The CAS number of 3,4-Dichlorothiophene is 17249-76-2.
What is the molecular formula of 3,4-Dichlorothiophene?
The molecular formula of 3,4-Dichlorothiophene is C4H2Cl2S.
What is the molecular weight of 3,4-Dichlorothiophene?
The molecular weight of 3,4-Dichlorothiophene is 151.93 g/mol.
Where can I buy 3,4-Dichlorothiophene?
You can request a quote for 3,4-Dichlorothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.