1-Chloro-dibenzothiophene
TL;DR: 1-Chloro-dibenzothiophene (CAS 109014-36-0) 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.
1-chlorodibenzothiophene
Also Known As: 1-chlorodibenzothiophene, 1-Chloro-dibenzothiophene, 1-Chlorodibenzo[b,d]thiophene, monochlorodibenzothiophene, Dibenzothiophene,1-chloro
| Molecular Formula | C12H7ClS |
|---|---|
| Molecular Weight | 218.00 g/mol |
| LogP | 4.9 |
| 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 | 109014-36-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C=CC=C3Cl |
| InChIKey | UMAJBTWMRGYFLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-dibenzothiophene (CAS 109014-36-0), with molecular formula C12H7ClS and molecular weight 218.00 g/mol. IUPAC: 1-chlorodibenzothiophene.
Chemical Property Profile of 1-Chloro-dibenzothiophene
Property Insights of 1-Chloro-dibenzothiophene
The XLogP value of 4.9 indicates that 1-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, 1-Chloro-dibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-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 1-Chloro-dibenzothiophene?
The CAS number of 1-Chloro-dibenzothiophene is 109014-36-0.
What is the molecular formula of 1-Chloro-dibenzothiophene?
The molecular formula of 1-Chloro-dibenzothiophene is C12H7ClS.
What is the molecular weight of 1-Chloro-dibenzothiophene?
The molecular weight of 1-Chloro-dibenzothiophene is 218.00 g/mol.
Where can I buy 1-Chloro-dibenzothiophene?
You can request a quote for 1-Chloro-dibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-dibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-dibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.