5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine
TL;DR: 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine (CAS 54079-84-4) is a chemical compound with molecular formula C10H9ClS2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6-phenyl-2,3-dihydro-1,4-dithiine
Also Known As: 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine, 1,4-Dithiin, 2-chloro-5,6-dihydro-3-phenyl-, 1,4-Dithiin,2-chloro-5,6-dihydro-3-phenyl, 2-Phenyl-3-chloro-5,6-dihydro-1,4-dithiin, J1.101.523I
| Molecular Formula | C10H9ClS2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.98341 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 54079-84-4 |
|---|---|
| SMILES | C1CSC(=C(S1)C2=CC=CC=C2)Cl |
| InChIKey | RWZRUYOOWQWBSC-UHFFFAOYSA-N |
Product Overview
5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine (CAS 54079-84-4), with molecular formula C10H9ClS2 and molecular weight 227.98 g/mol. IUPAC: 5-chloro-6-phenyl-2,3-dihydro-1,4-dithiine.
Chemical Property Profile of 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine
Property Insights of 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine
The XLogP value of 3.8 indicates that 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine has 0 hydrogen bond donor(s) and 2 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 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine?
The CAS number of 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine is 54079-84-4.
What is the molecular formula of 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine?
The molecular formula of 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine is C10H9ClS2.
What is the molecular weight of 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine?
The molecular weight of 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine is 227.98 g/mol.
Where can I buy 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine?
You can request a quote for 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-6-phenyl-2,3-dihydro-1,4-dithiine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.