![3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid structure](/static/products/849/84982-67-2.png)
3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid
TL;DR: 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid (CAS 84982-67-2) is a chemical compound with molecular formula C6H11N3O2S and molecular weight 189.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-sulfanylidene-1,3,5-triazinan-1-yl)propanoic acid
Also Known As: 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid, 3-(4-thioxo-1,3,5-triazinan-1-yl)propanoic acid, BAS 06491500, 3-(4-sulfanylidene-1,3,5-triazinan-1-yl)propanoic acid, VU0610922-1
| Molecular Formula | C6H11N3O2S |
|---|---|
| Molecular Weight | 189.06 g/mol |
| LogP | -0.8442 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.0572 |
| Heavy Atoms | 12 |
| Complexity | 187.23222 |
Chemical Identifiers
| CAS Number | 84982-67-2 |
|---|---|
| SMILES | C1NC(=S)NCN1CCC(=O)O |
Product Overview
3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid (CAS 84982-67-2), with molecular formula C6H11N3O2S and molecular weight 189.06 g/mol. IUPAC: 3-(4-sulfanylidene-1,3,5-triazinan-1-yl)propanoic acid.
Chemical Property Profile of 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid
Property Insights of 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid
The XLogP value of -0.8442 indicates that 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid. Following Lipinski's Rule of Five, 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic 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 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid?
The CAS number of 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid is 84982-67-2.
What is the molecular formula of 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid?
The molecular formula of 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid is C6H11N3O2S.
What is the molecular weight of 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid?
The molecular weight of 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid is 189.06 g/mol.
Where can I buy 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid?
You can request a quote for 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Thioxo-[1,3,5]triazinan-1-yl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.