![2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid structure](/static/products/1256/125605-97-2.webp)
2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid
TL;DR: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid (CAS 125605-97-2) is a chemical compound with molecular formula C6H6N2O4S3 and molecular weight 265.95 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]butanedioic acid
Also Known As: Maybridge1_002012, 2-((5-Mercapto-1,3,4-thiadiazol-2-yl)thio)succinic acid, 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioic acid, 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid, 2-(5-Mercapto-1,3,4-thiadiazol-2-ylsulfanyl) succinic acid
| Molecular Formula | C6H6N2O4S3 |
|---|---|
| Molecular Weight | 265.95 g/mol |
| LogP | 1.22069 |
| Topological Polar Surface Area | 103.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.94897 |
| Heavy Atoms | 15 |
| Complexity | 426.01154 |
Chemical Identifiers
| CAS Number | 125605-97-2 |
|---|---|
| SMILES | C(C(C(=O)O)SC1=NNC(=S)S1)C(=O)O |
Product Overview
2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid (CAS 125605-97-2), with molecular formula C6H6N2O4S3 and molecular weight 265.95 g/mol. IUPAC: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioic acid.
Chemical Property Profile of 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid
Property Insights of 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid
The XLogP value of 1.22069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid. The TPSA of 103.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid. Following Lipinski's Rule of Five, 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid has 3 hydrogen bond donor(s) and 6 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-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid?
The CAS number of 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid is 125605-97-2.
What is the molecular formula of 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid?
The molecular formula of 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid is C6H6N2O4S3.
What is the molecular weight of 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid?
The molecular weight of 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid is 265.95 g/mol.
Where can I buy 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid?
You can request a quote for 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic 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-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.