4,5-Dimethyl-1,3-dithiole-2-thione
TL;DR: 4,5-Dimethyl-1,3-dithiole-2-thione (CAS 17534-27-9) 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-dimethyl-1,3-dithiole-2-thione
Also Known As: 4,5-dimethyl-1,3-dithiole-2-thione, 4,5-dimethyl-[1,3]dithiole-2-thione, dimethyl-2H-1,3-dithiole-2-thione, 4,5-Dimethyl-1,3-dithiol-2-thione, 4,5-dimethyl-1,3-dithiolene-2-thione
| Molecular Formula | C5H6S3 |
|---|---|
| Molecular Weight | 161.96 g/mol |
| LogP | 3.15593 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.96317 |
| Heavy Atoms | 8 |
| Complexity | 207.56697 |
Chemical Identifiers
| CAS Number | 17534-27-9 |
|---|---|
| SMILES | CC1=C(SC(=S)S1)C |
Product Overview
4,5-Dimethyl-1,3-dithiole-2-thione (CAS 17534-27-9), with molecular formula C5H6S3 and molecular weight 161.96 g/mol. IUPAC: 4,5-dimethyl-1,3-dithiole-2-thione.
Chemical Property Profile of 4,5-Dimethyl-1,3-dithiole-2-thione
Property Insights of 4,5-Dimethyl-1,3-dithiole-2-thione
The XLogP value of 3.15593 indicates that 4,5-Dimethyl-1,3-dithiole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,5-Dimethyl-1,3-dithiole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-1,3-dithiole-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 4,5-Dimethyl-1,3-dithiole-2-thione?
The CAS number of 4,5-Dimethyl-1,3-dithiole-2-thione is 17534-27-9.
What is the molecular formula of 4,5-Dimethyl-1,3-dithiole-2-thione?
The molecular formula of 4,5-Dimethyl-1,3-dithiole-2-thione is C5H6S3.
What is the molecular weight of 4,5-Dimethyl-1,3-dithiole-2-thione?
The molecular weight of 4,5-Dimethyl-1,3-dithiole-2-thione is 161.96 g/mol.
Where can I buy 4,5-Dimethyl-1,3-dithiole-2-thione?
You can request a quote for 4,5-Dimethyl-1,3-dithiole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethyl-1,3-dithiole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-1,3-dithiole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.