2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate
TL;DR: 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate (CAS 5301-05-3) is a chemical compound with molecular formula C5H16N4O2S5 and molecular weight 323.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triazanium;2-(sulfidocarbothioylamino)-3-sulfidocarbothioylsulfanylpropanoate
Also Known As: DTC-DTCTP, 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate, Triammonium 2-dithiocarbamoyl-3-dithiocarbonylthiopropanoate, Ammonium, tri-, 2-dithiocarbamoyl-3-dithiocarbonylthiopropanoate, Triammonium 2-dithiocarbamyl-3-dithiocarbonylthiopropanoate
| Molecular Formula | C5H16N4O2S5 |
|---|---|
| Molecular Weight | 323.99 g/mol |
| LogP | 0.2199 |
| Topological Polar Surface Area | 161.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.98767 |
| Heavy Atoms | 16 |
| Complexity | 238.85892 |
Chemical Identifiers
| CAS Number | 5301-05-3 |
|---|---|
| SMILES | C(C(C(=O)[O-])NC(=S)[S-])SC(=S)[S-].[NH4+].[NH4+].[NH4+] |
Product Overview
2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate (CAS 5301-05-3), with molecular formula C5H16N4O2S5 and molecular weight 323.99 g/mol. IUPAC: triazanium;2-(sulfidocarbothioylamino)-3-sulfidocarbothioylsulfanylpropanoate.
Chemical Property Profile of 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate
Property Insights of 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate
The XLogP value of 0.2199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate. The TPSA of 161.66 Ų indicates high polarity, suggesting 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate has 4 hydrogen bond donor(s) and 7 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 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate?
The CAS number of 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate is 5301-05-3.
What is the molecular formula of 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate?
The molecular formula of 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate is C5H16N4O2S5.
What is the molecular weight of 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate?
The molecular weight of 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate is 323.99 g/mol.
Where can I buy 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate?
You can request a quote for 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Dithiocarbamyl-3-dithiocarbonylthiopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.