3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid
TL;DR: 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid (CAS 340987-00-0) is a chemical compound with molecular formula C6H12N4O2S and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methyl-6-sulfanylidene-1,2,4,5-tetrazinan-3-yl)propanoic acid
Also Known As: 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid, BAS 01981890, 3-(3-methyl-6-sulfanylidene-1,2,4,5-tetrazinan-3-yl)propanoic acid, 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoicacid, 3-(3-Methyl-6-thioxo-[1,2,4,5]tetrazinan-3-yl)-propionic acid
| Molecular Formula | C6H12N4O2S |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | -0.9457 |
| Topological Polar Surface Area | 85.42 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.0681 |
| Heavy Atoms | 13 |
| Complexity | 222.67415 |
Chemical Identifiers
| CAS Number | 340987-00-0 |
|---|---|
| SMILES | CC1(NNC(=S)NN1)CCC(=O)O |
Product Overview
3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid (CAS 340987-00-0), with molecular formula C6H12N4O2S and molecular weight 204.07 g/mol. IUPAC: 3-(3-methyl-6-sulfanylidene-1,2,4,5-tetrazinan-3-yl)propanoic acid.
Chemical Property Profile of 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid
Property Insights of 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid
The XLogP value of -0.9457 indicates that 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid has 5 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 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid?
The CAS number of 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid is 340987-00-0.
What is the molecular formula of 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid?
The molecular formula of 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid is C6H12N4O2S.
What is the molecular weight of 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid?
The molecular weight of 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid is 204.07 g/mol.
Where can I buy 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid?
You can request a quote for 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methyl-6-thioxo-1,2,4,5-tetrazinan-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.