4,5-Dimethyl-1,2-dithiole-3-thione
TL;DR: 4,5-Dimethyl-1,2-dithiole-3-thione (CAS 3354-39-0) is a chemical compound with molecular formula C5H6S3 and molecular weight 161.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyldithiole-3-thione
Also Known As: 4,5-Dimethyl-3H-1,2-dithiole-3-thione, 4,5-dimethyldithiole-3-thione, 4,5-Dimethyl-1,2-dithiole-3-thione, dimethyl-3H-1,2-dithiole-3-thione, 4,5-dimethyl-1,2-dithiol-3-thione
| Molecular Formula | C5H6S3 |
|---|---|
| Molecular Weight | 161.96 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.96317 |
| Heavy Atoms | 8 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 3354-39-0 |
|---|---|
| SMILES | CC1=C(SSC1=S)C |
| InChIKey | GIHGTMXLYJIABQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dimethyl-1,2-dithiole-3-thione (CAS 3354-39-0), with molecular formula C5H6S3 and molecular weight 161.96 g/mol. IUPAC: 4,5-dimethyldithiole-3-thione.
Chemical Property Profile of 4,5-Dimethyl-1,2-dithiole-3-thione
Property Insights of 4,5-Dimethyl-1,2-dithiole-3-thione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethyl-1,2-dithiole-3-thione. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethyl-1,2-dithiole-3-thione. Following Lipinski's Rule of Five, 4,5-Dimethyl-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 4,5-Dimethyl-1,2-dithiole-3-thione?
The CAS number of 4,5-Dimethyl-1,2-dithiole-3-thione is 3354-39-0.
What is the molecular formula of 4,5-Dimethyl-1,2-dithiole-3-thione?
The molecular formula of 4,5-Dimethyl-1,2-dithiole-3-thione is C5H6S3.
What is the molecular weight of 4,5-Dimethyl-1,2-dithiole-3-thione?
The molecular weight of 4,5-Dimethyl-1,2-dithiole-3-thione is 161.96 g/mol.
Where can I buy 4,5-Dimethyl-1,2-dithiole-3-thione?
You can request a quote for 4,5-Dimethyl-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 4,5-Dimethyl-1,2-dithiole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-1,2-dithiole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.