5-(4-bromophenyl)-3H-1,2-dithiole-3-thione
TL;DR: 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione (CAS 147008-20-6) is a chemical compound with molecular formula C9H5BrS3 and molecular weight 287.8737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-bromophenyl)dithiole-3-thione
Also Known As: 5-(4-bromophenyl)dithiole-3-thione, 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione, 3H-1,2-Dithiole-3-thione,5-(4-bromophenyl)-, 5-(4-BROMO-PHENYL)-[1,2]DITHIOLE-3-THIONE, 5-(4-Bromophenyl)-3H-1,2-dithiol-3-thione
Technical Specifications
| Molecular Formula | C9H5BrS3 |
| Molecular Weight | 287.8737 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.8737 Da |
| Heavy Atoms | 13 |
| Complexity | 241.0 |
| SMILES | C1=CC(=CC=C1C2=CC(=S)SS2)Br |
| InChIKey | MHNGECZIVWUASC-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione
Property Insights of 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione
The XLogP value of 3.5 indicates that 5-(4-bromophenyl)-3H-1,2-dithiole-3-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 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione. Following Lipinski's Rule of Five, 5-(4-bromophenyl)-3H-1,2-dithiole-3-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
What is the CAS number of 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione?
The CAS number of 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione is 147008-20-6.
What is the molecular formula of 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione?
The molecular formula of 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione is C9H5BrS3.
What is the molecular weight of 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione?
The molecular weight of 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione is 287.8737 g/mol.
Where can I buy 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione?
You can request a quote for 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione?
Yes, CoreyChem provides custom synthesis services for 5-(4-bromophenyl)-3H-1,2-dithiole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.