![3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione structure](/static/products/3215/321580-69-2.webp)
3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione
TL;DR: 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione (CAS 321580-69-2) is a chemical compound with molecular formula C6H11NO2S3 and molecular weight 225.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1,1-dioxothiolan-3-yl)carbamodithioate
Also Known As: 3-[(methylthiothioxomethyl)amino]thiolane-1,1-dione, methyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate, methyl N-(1,1-dioxothiolan-3-yl)carbamodithioate
| Molecular Formula | C6H11NO2S3 |
|---|---|
| Molecular Weight | 225.00 g/mol |
| LogP | 0.411 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.9952 |
| Heavy Atoms | 12 |
| Complexity | 272.5178 |
Chemical Identifiers
| CAS Number | 321580-69-2 |
|---|---|
| SMILES | CSC(=S)NC1CCS(=O)(=O)C1 |
Product Overview
3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione (CAS 321580-69-2), with molecular formula C6H11NO2S3 and molecular weight 225.00 g/mol. IUPAC: methyl N-(1,1-dioxothiolan-3-yl)carbamodithioate.
Chemical Property Profile of 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione
Property Insights of 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione
The XLogP value of 0.411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione. With a topological polar surface area (TPSA) of 46.17 Ų, 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione has 1 hydrogen bond donor(s) and 4 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 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione?
The CAS number of 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione is 321580-69-2.
What is the molecular formula of 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione?
The molecular formula of 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione is C6H11NO2S3.
What is the molecular weight of 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione?
The molecular weight of 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione is 225.00 g/mol.
Where can I buy 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione?
You can request a quote for 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Methylthiothioxomethyl)amino]thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.