Dithiocyanuric acid
TL;DR: Dithiocyanuric acid (CAS 33776-96-4) is a chemical compound with molecular formula C3H3N3OS2 and molecular weight 160.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(sulfanylidene)-1,3,5-triazinan-2-one
Also Known As: dithiocyanuric acid, EINECS 251-675-5, Tetrahydro-4,6-dithioxo-1,3,5-triazin-2(1H)-one, 4,6-bis(sulfanylidene)-1,3,5-triazinan-2-one, 4,6-Dithioxohexahydro-1,3,5-triazine-2-one
| Molecular Formula | C3H3N3OS2 |
|---|---|
| Molecular Weight | 160.97 g/mol |
| LogP | 0.49008 |
| Topological Polar Surface Area | 64.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.97176 |
| Heavy Atoms | 9 |
| Complexity | 279.55862 |
Chemical Identifiers
| CAS Number | 33776-96-4 |
|---|---|
| SMILES | C1(=O)NC(=S)NC(=S)N1 |
Product Overview
Dithiocyanuric acid (CAS 33776-96-4), with molecular formula C3H3N3OS2 and molecular weight 160.97 g/mol. IUPAC: 4,6-bis(sulfanylidene)-1,3,5-triazinan-2-one.
Chemical Property Profile of Dithiocyanuric acid
Property Insights of Dithiocyanuric acid
The XLogP value of 0.49008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dithiocyanuric acid. The TPSA of 64.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithiocyanuric acid. Following Lipinski's Rule of Five, Dithiocyanuric acid has 3 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 Dithiocyanuric acid?
The CAS number of Dithiocyanuric acid is 33776-96-4.
What is the molecular formula of Dithiocyanuric acid?
The molecular formula of Dithiocyanuric acid is C3H3N3OS2.
What is the molecular weight of Dithiocyanuric acid?
The molecular weight of Dithiocyanuric acid is 160.97 g/mol.
Where can I buy Dithiocyanuric acid?
You can request a quote for Dithiocyanuric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiocyanuric acid?
Yes, KEHONG BIO provides custom synthesis services for Dithiocyanuric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.