Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester
TL;DR: Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester (CAS 698-86-2) is a chemical compound with molecular formula C6H11NS3 and molecular weight 193.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(dimethylamino)methyl]-1,3-dithiolane-2-thione
Also Known As: 4-[(dimethylamino)methyl]-1,3-dithiolane-2-thione, 5-19-08-00632 (Beilstein Handbook Reference), Carbonic acid, trithio-, cyclic ((dimethylamino)methyl)ethylene ester, Trithiocarbonic acid cyclic (2-(dimethylamino)trimethylene) ester, 4-(dimethylaminomethyl)-1,3-dithiolane-2-thione
| Molecular Formula | C6H11NS3 |
|---|---|
| Molecular Weight | 193.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.00536 |
| Heavy Atoms | 10 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 698-86-2 |
|---|---|
| SMILES | CN(C)CC1CSC(=S)S1 |
| InChIKey | RMVCGYMDVTVYKE-UHFFFAOYSA-N |
Product Overview
Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester (CAS 698-86-2), with molecular formula C6H11NS3 and molecular weight 193.01 g/mol. IUPAC: 4-[(dimethylamino)methyl]-1,3-dithiolane-2-thione.
Chemical Property Profile of Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester
Property Insights of Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester. Following Lipinski's Rule of Five, Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester has 0 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 Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester?
The CAS number of Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester is 698-86-2.
What is the molecular formula of Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester?
The molecular formula of Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester is C6H11NS3.
What is the molecular weight of Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester?
The molecular weight of Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester is 193.01 g/mol.
Where can I buy Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester?
You can request a quote for Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.