4-Phenyl-1,3-dithiolane-2-thione
TL;DR: 4-Phenyl-1,3-dithiolane-2-thione (CAS 3489-31-4) is a chemical compound with molecular formula C9H8S3 and molecular weight 211.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-1,3-dithiolane-2-thione
Also Known As: 4-phenyl-1,3-dithiolane-2-thione, 4-phenyl-1,3-dithiolane-thione, 5-Phenyl-1,3-dithiolane-2-thione, J1.230.275D, RefChem:295428
| Molecular Formula | C9H8S3 |
|---|---|
| Molecular Weight | 211.98 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.97882 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 3489-31-4 |
|---|---|
| SMILES | C1C(SC(=S)S1)C2=CC=CC=C2 |
| InChIKey | UNAVLWYSWPISLX-UHFFFAOYSA-N |
Product Overview
4-Phenyl-1,3-dithiolane-2-thione (CAS 3489-31-4), with molecular formula C9H8S3 and molecular weight 211.98 g/mol. IUPAC: 4-phenyl-1,3-dithiolane-2-thione.
Chemical Property Profile of 4-Phenyl-1,3-dithiolane-2-thione
Property Insights of 4-Phenyl-1,3-dithiolane-2-thione
The XLogP value of 3.5 indicates that 4-Phenyl-1,3-dithiolane-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenyl-1,3-dithiolane-2-thione. Following Lipinski's Rule of Five, 4-Phenyl-1,3-dithiolane-2-thione has 0 hydrogen bond donor(s) and 3 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-Phenyl-1,3-dithiolane-2-thione?
The CAS number of 4-Phenyl-1,3-dithiolane-2-thione is 3489-31-4.
What is the molecular formula of 4-Phenyl-1,3-dithiolane-2-thione?
The molecular formula of 4-Phenyl-1,3-dithiolane-2-thione is C9H8S3.
What is the molecular weight of 4-Phenyl-1,3-dithiolane-2-thione?
The molecular weight of 4-Phenyl-1,3-dithiolane-2-thione is 211.98 g/mol.
Where can I buy 4-Phenyl-1,3-dithiolane-2-thione?
You can request a quote for 4-Phenyl-1,3-dithiolane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-1,3-dithiolane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1,3-dithiolane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.