2-Chloro-dibenzothiophene
TL;DR: 2-Chloro-dibenzothiophene (CAS 68820-91-7) 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.
2-chlorodibenzothiophene
Also Known As: 2-chlorodibenzo[b,d]thiophene, 2-chlorodibenzothiophene, 2-Chloro-dibenzothiophene, Dibenzothiophene, 2-chloro-, 4-chloro-8-thiatricyclo[7.4.0.0(2),?]trideca-1(9),2(7),3,5,10,12-hexaene
| 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 | 68820-91-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Cl |
| InChIKey | ZNJQWPJMTIZOHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-dibenzothiophene (CAS 68820-91-7), with molecular formula C12H7ClS and molecular weight 218.00 g/mol. IUPAC: 2-chlorodibenzothiophene.
Chemical Property Profile of 2-Chloro-dibenzothiophene
Property Insights of 2-Chloro-dibenzothiophene
The XLogP value of 5.0 indicates that 2-Chloro-dibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2-Chloro-dibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-dibenzothiophene 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 2-Chloro-dibenzothiophene?
The CAS number of 2-Chloro-dibenzothiophene is 68820-91-7.
What is the molecular formula of 2-Chloro-dibenzothiophene?
The molecular formula of 2-Chloro-dibenzothiophene is C12H7ClS.
What is the molecular weight of 2-Chloro-dibenzothiophene?
The molecular weight of 2-Chloro-dibenzothiophene is 218.00 g/mol.
Where can I buy 2-Chloro-dibenzothiophene?
You can request a quote for 2-Chloro-dibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-dibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-dibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.