Ymr3EC6FF4
TL;DR: Ymr3EC6FF4 (CAS 752919-80-5) is a chemical compound with molecular formula C7H15NO3S3 and molecular weight 257.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylcarbamothioylsulfanyl)ethanesulfonic acid
Also Known As: 2-(diethylcarbamothioylsulfanyl)ethanesulfonic acid, 2-(diethylthiocarbamoylsulfanyl)ethanesulfonic Acid, 2-[[(Diethylamino)thioxomethyl]thio]ethanesulfonic acid, Ethanesulfonic acid, 2-[[(diethylamino)thioxomethyl]thio]-
| Molecular Formula | C7H15NO3S3 |
|---|---|
| Molecular Weight | 257.02 g/mol |
| LogP | 1.2341 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.0214 |
| Heavy Atoms | 14 |
| Complexity | 271.9046 |
Chemical Identifiers
| CAS Number | 752919-80-5 |
|---|---|
| SMILES | CCN(CC)C(=S)SCCS(=O)(=O)O |
Product Overview
Ymr3EC6FF4 (CAS 752919-80-5), with molecular formula C7H15NO3S3 and molecular weight 257.02 g/mol. IUPAC: 2-(diethylcarbamothioylsulfanyl)ethanesulfonic acid.
Chemical Property Profile of Ymr3EC6FF4
Property Insights of Ymr3EC6FF4
The XLogP value of 1.2341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ymr3EC6FF4. With a topological polar surface area (TPSA) of 57.61 Ų, Ymr3EC6FF4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ymr3EC6FF4 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 Ymr3EC6FF4?
The CAS number of Ymr3EC6FF4 is 752919-80-5.
What is the molecular formula of Ymr3EC6FF4?
The molecular formula of Ymr3EC6FF4 is C7H15NO3S3.
What is the molecular weight of Ymr3EC6FF4?
The molecular weight of Ymr3EC6FF4 is 257.02 g/mol.
Where can I buy Ymr3EC6FF4?
You can request a quote for Ymr3EC6FF4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ymr3EC6FF4?
Yes, KEHONG BIO provides custom synthesis services for Ymr3EC6FF4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.