2,8-Dichlorodibenzothiophene
TL;DR: 2,8-Dichlorodibenzothiophene (CAS 105677-73-4) is a chemical compound with molecular formula C12H6Cl2S and molecular weight 251.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8-dichlorodibenzothiophene
Also Known As: 2,8-dichlorodibenzothiophene, 2,8-dichlorodibenzo[b,d]thiophene, dibenzo[b,d]thiophene, 2,8-dichloro-, 4,12-dichloro-8-thiatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene, InChI=1/C12H6Cl2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6
| Molecular Formula | C12H6Cl2S |
|---|---|
| Molecular Weight | 251.96 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.95673 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 105677-73-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C3=C(S2)C=CC(=C3)Cl |
| InChIKey | OFNVXXIWQIXQQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,8-Dichlorodibenzothiophene (CAS 105677-73-4), with molecular formula C12H6Cl2S and molecular weight 251.96 g/mol. IUPAC: 2,8-dichlorodibenzothiophene.
Chemical Property Profile of 2,8-Dichlorodibenzothiophene
Property Insights of 2,8-Dichlorodibenzothiophene
The XLogP value of 6.3 indicates that 2,8-Dichlorodibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2,8-Dichlorodibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8-Dichlorodibenzothiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,8-Dichlorodibenzothiophene?
The CAS number of 2,8-Dichlorodibenzothiophene is 105677-73-4.
What is the molecular formula of 2,8-Dichlorodibenzothiophene?
The molecular formula of 2,8-Dichlorodibenzothiophene is C12H6Cl2S.
What is the molecular weight of 2,8-Dichlorodibenzothiophene?
The molecular weight of 2,8-Dichlorodibenzothiophene is 251.96 g/mol.
Where can I buy 2,8-Dichlorodibenzothiophene?
You can request a quote for 2,8-Dichlorodibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8-Dichlorodibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,8-Dichlorodibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.