4-Phenyl-5-methyl-1,2-dithiole-3-thione
TL;DR: 4-Phenyl-5-methyl-1,2-dithiole-3-thione (CAS 18648-91-4) is a chemical compound with molecular formula C10H8S3 and molecular weight 223.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-phenyldithiole-3-thione
Also Known As: 5-methyl-4-phenyl-3H-1,2-dithiole-3-thione, 5-methyl-4-phenyldithiole-3-thione, 4-Phenyl-5-methyl-1,2-dithiole-3-thione, 5-methyl-4-phenyl-1,2-dithiolene-3-thione, 4-Phenyl-5-methyl-3H-1,2-dithiol-3-thione
| Molecular Formula | C10H8S3 |
|---|---|
| Molecular Weight | 223.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.97882 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 18648-91-4 |
|---|---|
| SMILES | CC1=C(C(=S)SS1)C2=CC=CC=C2 |
| InChIKey | DATSIWHAJPBMLE-UHFFFAOYSA-N |
Product Overview
4-Phenyl-5-methyl-1,2-dithiole-3-thione (CAS 18648-91-4), with molecular formula C10H8S3 and molecular weight 223.98 g/mol. IUPAC: 5-methyl-4-phenyldithiole-3-thione.
Chemical Property Profile of 4-Phenyl-5-methyl-1,2-dithiole-3-thione
Property Insights of 4-Phenyl-5-methyl-1,2-dithiole-3-thione
The XLogP value of 3.2 indicates that 4-Phenyl-5-methyl-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 4-Phenyl-5-methyl-1,2-dithiole-3-thione. Following Lipinski's Rule of Five, 4-Phenyl-5-methyl-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
Frequently Asked Questions
What is the CAS number of 4-Phenyl-5-methyl-1,2-dithiole-3-thione?
The CAS number of 4-Phenyl-5-methyl-1,2-dithiole-3-thione is 18648-91-4.
What is the molecular formula of 4-Phenyl-5-methyl-1,2-dithiole-3-thione?
The molecular formula of 4-Phenyl-5-methyl-1,2-dithiole-3-thione is C10H8S3.
What is the molecular weight of 4-Phenyl-5-methyl-1,2-dithiole-3-thione?
The molecular weight of 4-Phenyl-5-methyl-1,2-dithiole-3-thione is 223.98 g/mol.
Where can I buy 4-Phenyl-5-methyl-1,2-dithiole-3-thione?
You can request a quote for 4-Phenyl-5-methyl-1,2-dithiole-3-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-5-methyl-1,2-dithiole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-5-methyl-1,2-dithiole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.