5,5-Dimethyl-1,3-dithiane-2-thione
TL;DR: 5,5-Dimethyl-1,3-dithiane-2-thione (CAS 64923-45-1) is a chemical compound with molecular formula C6H10S3 and molecular weight 177.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-1,3-dithiane-2-thione
Also Known As: 5,5-dimethyl-1,3-dithiane-2-thione, J1.542.083I, 5,5-Dimethyl-5,6-dihydro-4H-1,3-dithiin-2-thione
| Molecular Formula | C6H10S3 |
|---|---|
| Molecular Weight | 177.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.99446 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 64923-45-1 |
|---|---|
| SMILES | CC1(CSC(=S)SC1)C |
| InChIKey | UNYFRIUSUJHAPR-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-1,3-dithiane-2-thione (CAS 64923-45-1), with molecular formula C6H10S3 and molecular weight 177.99 g/mol. IUPAC: 5,5-dimethyl-1,3-dithiane-2-thione.
Chemical Property Profile of 5,5-Dimethyl-1,3-dithiane-2-thione
Property Insights of 5,5-Dimethyl-1,3-dithiane-2-thione
The XLogP value of 3.2 indicates that 5,5-Dimethyl-1,3-dithiane-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 5,5-Dimethyl-1,3-dithiane-2-thione. Following Lipinski's Rule of Five, 5,5-Dimethyl-1,3-dithiane-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 5,5-Dimethyl-1,3-dithiane-2-thione?
The CAS number of 5,5-Dimethyl-1,3-dithiane-2-thione is 64923-45-1.
What is the molecular formula of 5,5-Dimethyl-1,3-dithiane-2-thione?
The molecular formula of 5,5-Dimethyl-1,3-dithiane-2-thione is C6H10S3.
What is the molecular weight of 5,5-Dimethyl-1,3-dithiane-2-thione?
The molecular weight of 5,5-Dimethyl-1,3-dithiane-2-thione is 177.99 g/mol.
Where can I buy 5,5-Dimethyl-1,3-dithiane-2-thione?
You can request a quote for 5,5-Dimethyl-1,3-dithiane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-1,3-dithiane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-1,3-dithiane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.