三聚硫氰酸
TL;DR: 三聚硫氰酸 (CAS 638-16-4) is a chemical compound with molecular formula C3H3N3O2S and molecular weight 144.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三聚硫氰酸
6-sulfanylidene-1,3,5-triazinane-2,4-dione
Also Known As: Thiocyanuric acid, Monothiocyanuric acid, 6-sulfanylidene-1,3,5-triazinane-2,4-dione, 1,3,5-Triazine-2,4(1H,3H)-dione, dihydro-6-thioxo-, S-TRIAZINE-2,4-DIOL, 6-MERCAPTO-
| Molecular Formula | C3H3N3O2S |
|---|---|
| Molecular Weight | 144.99 g/mol |
| LogP | -0.87921 |
| Topological Polar Surface Area | 81.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.9946 |
| Heavy Atoms | 9 |
| Complexity | 279.55862 |
Chemical Identifiers
| CAS Number | 638-16-4 |
|---|---|
| SMILES | C1(=O)NC(=O)NC(=S)N1 |
Product Overview
三聚硫氰酸 (CAS 638-16-4), with molecular formula C3H3N3O2S and molecular weight 144.99 g/mol. IUPAC: 6-sulfanylidene-1,3,5-triazinane-2,4-dione.
Chemical Property Profile of 三聚硫氰酸
Property Insights of 三聚硫氰酸
The XLogP value of -0.87921 indicates that 三聚硫氰酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 三聚硫氰酸. Following Lipinski's Rule of Five, 三聚硫氰酸 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 三聚硫氰酸?
The CAS number of 三聚硫氰酸 is 638-16-4.
What is the molecular formula of 三聚硫氰酸?
The molecular formula of 三聚硫氰酸 is C3H3N3O2S.
What is the molecular weight of 三聚硫氰酸?
The molecular weight of 三聚硫氰酸 is 144.99 g/mol.
Where can I buy 三聚硫氰酸?
You can request a quote for 三聚硫氰酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三聚硫氰酸?
Yes, KEHONG BIO provides custom synthesis services for 三聚硫氰酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.