1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo-
TL;DR: 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo- (CAS 33083-42-0) is a chemical compound with molecular formula C4H4N2O2S2 and molecular weight 175.97 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)acetic acid
Also Known As: 2-mercapto-1,3,4-thiadiazole-5-acetic acid, 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo-, 2-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)acetic acid, 2-(5-sulfanylidene-4H-1,3,4-thiadiazol-2-yl)acetic Acid, (5-Sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetic acid
| Molecular Formula | C4H4N2O2S2 |
|---|---|
| Molecular Weight | 175.97 g/mol |
| LogP | 0.82779 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.97142 |
| Heavy Atoms | 10 |
| Complexity | 289.44775 |
Chemical Identifiers
| CAS Number | 33083-42-0 |
|---|---|
| SMILES | C(C1=NNC(=S)S1)C(=O)O |
Product Overview
1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo- (CAS 33083-42-0), with molecular formula C4H4N2O2S2 and molecular weight 175.97 g/mol. IUPAC: 2-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)acetic acid.
Chemical Property Profile of 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo-
Property Insights of 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo-
The XLogP value of 0.82779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo-. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo-. Following Lipinski's Rule of Five, 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo- 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 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo-?
The CAS number of 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo- is 33083-42-0.
What is the molecular formula of 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo-?
The molecular formula of 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo- is C4H4N2O2S2.
What is the molecular weight of 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo-?
The molecular weight of 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo- is 175.97 g/mol.
Where can I buy 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo-?
You can request a quote for 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazole-2-acetic acid, 4,5-dihydro-5-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.