1,3-Bis(diethylamino)propane-2-thiol
TL;DR: 1,3-Bis(diethylamino)propane-2-thiol (CAS 42779-36-2) is a chemical compound with molecular formula C11H26N2S and molecular weight 218.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(diethylamino)propane-2-thiol
Also Known As: 1,3-bis(diethylamino)propane-2-thiol
| Molecular Formula | C11H26N2S |
|---|---|
| Molecular Weight | 218.18 g/mol |
| LogP | 1.9684 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.18167 |
| Heavy Atoms | 14 |
| Complexity | 108.45594 |
Chemical Identifiers
| CAS Number | 42779-36-2 |
|---|---|
| SMILES | CCN(CC)CC(CN(CC)CC)S |
Product Overview
1,3-Bis(diethylamino)propane-2-thiol (CAS 42779-36-2), with molecular formula C11H26N2S and molecular weight 218.18 g/mol. IUPAC: 1,3-bis(diethylamino)propane-2-thiol.
Chemical Property Profile of 1,3-Bis(diethylamino)propane-2-thiol
Property Insights of 1,3-Bis(diethylamino)propane-2-thiol
The XLogP value of 1.9684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(diethylamino)propane-2-thiol. With a topological polar surface area (TPSA) of 6.48 Ų, 1,3-Bis(diethylamino)propane-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(diethylamino)propane-2-thiol has 1 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-Bis(diethylamino)propane-2-thiol?
The CAS number of 1,3-Bis(diethylamino)propane-2-thiol is 42779-36-2.
What is the molecular formula of 1,3-Bis(diethylamino)propane-2-thiol?
The molecular formula of 1,3-Bis(diethylamino)propane-2-thiol is C11H26N2S.
What is the molecular weight of 1,3-Bis(diethylamino)propane-2-thiol?
The molecular weight of 1,3-Bis(diethylamino)propane-2-thiol is 218.18 g/mol.
Where can I buy 1,3-Bis(diethylamino)propane-2-thiol?
You can request a quote for 1,3-Bis(diethylamino)propane-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(diethylamino)propane-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(diethylamino)propane-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.