![4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid structure](/static/products/7803/7803-72-7.webp)
4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid
TL;DR: 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid (CAS 7803-72-7) is a chemical compound with molecular formula C9H6N2O2S3 and molecular weight 269.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,5-bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid
Also Known As: 4-(2,5-Dithioxo-1,3,4-thiadiazolidin-3-yl)benzoic acid, 4-[2,5-bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid, 4-(2,5-disulfanylidene-1,3,4-thiadiazolidin-3-yl)benzoic Acid, 4-[(2-Thioxo-5-mercapto-2,3-dihydro-1,3,4-thiadiazol)-3-yl]benzoic acid, 4-(5-sulfanyl-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-yl)benzoic acid
| Molecular Formula | C9H6N2O2S3 |
|---|---|
| Molecular Weight | 269.96 g/mol |
| LogP | 3.02408 |
| Topological Polar Surface Area | 58.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.95914 |
| Heavy Atoms | 16 |
| Complexity | 635.764 |
Chemical Identifiers
| CAS Number | 7803-72-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N2C(=S)SC(=S)N2 |
Product Overview
4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid (CAS 7803-72-7), with molecular formula C9H6N2O2S3 and molecular weight 269.96 g/mol. IUPAC: 4-[2,5-bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid.
Chemical Property Profile of 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid
Property Insights of 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid
The XLogP value of 3.02408 indicates that 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.02 Ų, 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid has 2 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 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid?
The CAS number of 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid is 7803-72-7.
What is the molecular formula of 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid?
The molecular formula of 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid is C9H6N2O2S3.
What is the molecular weight of 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid?
The molecular weight of 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid is 269.96 g/mol.
Where can I buy 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid?
You can request a quote for 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2,5-Bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.