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 177.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C3H2N2OS3 |
|---|---|
| Molecular Weight | 177.93 g/mol |
| LogP | 1.27069 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.93292 |
| Heavy Atoms | 9 |
| Complexity | 274.58527 |
Chemical Identifiers
| CAS Number | 1135682-59-5 |
|---|---|
| SMILES | C1(=NNC(=S)S1)C(=O)S |
Product Overview
1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo- (CAS 1135682-59-5), with molecular formula C3H2N2OS3 and molecular weight 177.93 g/mol. IUPAC: 2-sulfanylidene-3H-1,3,4-thiadiazole-5-carbothioic S-acid.
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 1.27069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo-. With a topological polar surface area (TPSA) of 45.75 Ų, 1,3,4-Thiadiazole-2-carbothioic acid, 4,5-dihydro-5-thioxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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 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-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 177.93 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 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-carbothioic acid, 4,5-dihydro-5-thioxo-?
Yes, KEHONG BIO 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.