2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid
TL;DR: 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid (CAS 21808-48-0) is a chemical compound with molecular formula C7H10N2O4S2 and molecular weight 250.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(carboxymethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]acetic acid
Also Known As: 2,2'-(2-thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid, 2-[5-(carboxymethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]acetic acid, 3,5-Bis-carboxymethyl-2-thioxo-tetrahydro-1,3,5-thiadiazin, 2,2'-(2-Sulfanylidene-1,3,5-thiadiazinane-3,5-diyl)diacetic acid, 2-[5-(carboxymethyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]acetic acid
| Molecular Formula | C7H10N2O4S2 |
|---|---|
| Molecular Weight | 250.01 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.0082 |
| Heavy Atoms | 15 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 21808-48-0 |
|---|---|
| SMILES | C1N(CSC(=S)N1CC(=O)O)CC(=O)O |
| InChIKey | XPMFGMLJLZFQIM-UHFFFAOYSA-N |
Product Overview
2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid (CAS 21808-48-0), with molecular formula C7H10N2O4S2 and molecular weight 250.01 g/mol. IUPAC: 2-[5-(carboxymethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]acetic acid.
Chemical Property Profile of 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid
Property Insights of 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid
The XLogP value of -1.8 indicates that 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid. Following Lipinski's Rule of Five, 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid has 2 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 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid?
The CAS number of 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid is 21808-48-0.
What is the molecular formula of 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid?
The molecular formula of 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid is C7H10N2O4S2.
What is the molecular weight of 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid?
The molecular weight of 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid is 250.01 g/mol.
Where can I buy 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid?
You can request a quote for 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.