1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo-
TL;DR: 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo- (CAS 1135682-59-5) is a chemical compound with molecular formula C3H2N2OS3 and molecular weight 177.93292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-sulfanylidene-3H-1,3,4-thiadiazole-5-carbothioic S-acid
Also Known As: 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo-, 2-sulfanylidene-3H-1,3,4-thiadiazole-5-carbothioic S-acid, 5-sulfanylidene-4H-1,3,4-thiadiazole-2-carbothioic Acid, 4,5-DIHYDRO-5-THIOXO-1,3,4-THIADIAZOLE-2-CARBOTHIOIC ACID
Technical Specifications
| Molecular Formula | C3H2N2OS3 |
| Molecular Weight | 177.93292 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.93292 Da |
| Heavy Atoms | 9 |
| Complexity | 199.0 |
| SMILES | C1(=NNC(=S)S1)C(=O)S |
| InChIKey | ITYXUANBHURHBJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo-
Property Insights of 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo-. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo-. Following Lipinski's Rule of Five, 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo- 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
What is the CAS number of 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo-?
The CAS number of 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo- is 1135682-59-5.
What is the molecular formula of 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo-?
The molecular formula of 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo- is C3H2N2OS3.
What is the molecular weight of 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo-?
The molecular weight of 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo- is 177.93292 g/mol.
Where can I buy 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo-?
You can request a quote for 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo-?
Yes, CoreyChem provides custom synthesis services for 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.