1,3-Dithietane-2-thione
TL;DR: 1,3-Dithietane-2-thione (CAS 18555-26-5) is a chemical compound with molecular formula C2H2S3 and molecular weight 121.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dithietane-2-thione
Also Known As: 1,3-Dithietane-2-thione, methylene trithiocarbonate, RefChem:219149
| Molecular Formula | C2H2S3 |
|---|---|
| Molecular Weight | 121.93 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.93186 |
| Heavy Atoms | 5 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 18555-26-5 |
|---|---|
| SMILES | C1SC(=S)S1 |
| InChIKey | AOILGVJZQNPLBX-UHFFFAOYSA-N |
Product Overview
1,3-Dithietane-2-thione (CAS 18555-26-5), with molecular formula C2H2S3 and molecular weight 121.93 g/mol. IUPAC: 1,3-dithietane-2-thione.
Chemical Property Profile of 1,3-Dithietane-2-thione
Property Insights of 1,3-Dithietane-2-thione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithietane-2-thione. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithietane-2-thione. Following Lipinski's Rule of Five, 1,3-Dithietane-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 1,3-Dithietane-2-thione?
The CAS number of 1,3-Dithietane-2-thione is 18555-26-5.
What is the molecular formula of 1,3-Dithietane-2-thione?
The molecular formula of 1,3-Dithietane-2-thione is C2H2S3.
What is the molecular weight of 1,3-Dithietane-2-thione?
The molecular weight of 1,3-Dithietane-2-thione is 121.93 g/mol.
Where can I buy 1,3-Dithietane-2-thione?
You can request a quote for 1,3-Dithietane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithietane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithietane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.