4-Chlorodibenzothiophene
TL;DR: 4-Chlorodibenzothiophene (CAS 69747-68-8) is a chemical compound with molecular formula C12H7ClS and molecular weight 218.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorodibenzothiophene
Also Known As: 4-chlorodibenzothiophene, 4-chlorodibenzo[b,d]thiophene, 4-Chloro-dibenzothiophene, Dibenzothiophene, 4-chloro-, dibenzo[b,d]thiophene, 4-chloro-
| Molecular Formula | C12H7ClS |
|---|---|
| Molecular Weight | 218.00 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.9957 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 69747-68-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)Cl |
| InChIKey | HGRZBGFNEVHNDV-UHFFFAOYSA-N |
Product Overview
4-Chlorodibenzothiophene (CAS 69747-68-8), with molecular formula C12H7ClS and molecular weight 218.00 g/mol. IUPAC: 4-chlorodibenzothiophene.
Chemical Property Profile of 4-Chlorodibenzothiophene
Property Insights of 4-Chlorodibenzothiophene
The XLogP value of 5.0 indicates that 4-Chlorodibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 4-Chlorodibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorodibenzothiophene 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 4-Chlorodibenzothiophene?
The CAS number of 4-Chlorodibenzothiophene is 69747-68-8.
What is the molecular formula of 4-Chlorodibenzothiophene?
The molecular formula of 4-Chlorodibenzothiophene is C12H7ClS.
What is the molecular weight of 4-Chlorodibenzothiophene?
The molecular weight of 4-Chlorodibenzothiophene is 218.00 g/mol.
Where can I buy 4-Chlorodibenzothiophene?
You can request a quote for 4-Chlorodibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorodibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorodibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.