((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid
TL;DR: ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid (CAS 53723-88-9) is a chemical compound with molecular formula C4H4N2O2S3 and molecular weight 207.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetic acid
Also Known As: (5-Mercapto-1,3,4-thiadiazol-2-ylthio)acetic Acid, Maybridge1_001968, EINECS 258-728-1, 2-[(5-Mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acid, (5-Mercapto-1,3,4-thiadiazole-2-ylthio)acetic acid
| Molecular Formula | C4H4N2O2S3 |
|---|---|
| Molecular Weight | 207.94 g/mol |
| LogP | 1.37739 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.9435 |
| Heavy Atoms | 11 |
| Complexity | 304.28586 |
Chemical Identifiers
| CAS Number | 53723-88-9 |
|---|---|
| SMILES | C(C(=O)O)SC1=NNC(=S)S1 |
Product Overview
((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid (CAS 53723-88-9), with molecular formula C4H4N2O2S3 and molecular weight 207.94 g/mol. IUPAC: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetic acid.
Chemical Property Profile of ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid
Property Insights of ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid
The XLogP value of 1.37739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid. Following Lipinski's Rule of Five, ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid has 2 hydrogen bond donor(s) and 5 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 ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid?
The CAS number of ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid is 53723-88-9.
What is the molecular formula of ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid?
The molecular formula of ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid is C4H4N2O2S3.
What is the molecular weight of ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid?
The molecular weight of ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid is 207.94 g/mol.
Where can I buy ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid?
You can request a quote for ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.