![Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]- structure](/static/products/843/843629-33-4.png)
Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]-
TL;DR: Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]- (CAS 843629-33-4) is a chemical compound with molecular formula C16H18N2O3S3 and molecular weight 382.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[2-(4-methylphenoxy)ethyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]pentane-2,4-dione
Also Known As: Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]-, 3-((5-thioxo-4-(2-(p-tolyloxy)ethyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)pentane-2,4-dione, 3-({4-[2-(4-METHYLPHENOXY)ETHYL]-5-SULFANYLIDENE-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL}SULFANYL)PENTANE-2,4-DIONE, 3-({4-[2-(4-methylphenoxy)ethyl]-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl}sulfanyl)pentane-2,4-dione, 3-[[4-[2-(4-methylphenoxy)ethyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]pentane-2,4-dione
| Molecular Formula | C16H18N2O3S3 |
|---|---|
| Molecular Weight | 382.05 g/mol |
| LogP | 3.70021 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.04794 |
| Heavy Atoms | 24 |
| Complexity | 766.6105 |
Chemical Identifiers
| CAS Number | 843629-33-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCN2C(=S)SC(=N2)SC(C(=O)C)C(=O)C |
Product Overview
Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]- (CAS 843629-33-4), with molecular formula C16H18N2O3S3 and molecular weight 382.05 g/mol. IUPAC: 3-[[4-[2-(4-methylphenoxy)ethyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]pentane-2,4-dione.
Chemical Property Profile of Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]-
Property Insights of Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]-
The XLogP value of 3.70021 indicates that Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]-. Following Lipinski's Rule of Five, Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]- has 0 hydrogen bond donor(s) and 7 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 Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]-?
The CAS number of Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]- is 843629-33-4.
What is the molecular formula of Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]-?
The molecular formula of Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]- is C16H18N2O3S3.
What is the molecular weight of Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]-?
The molecular weight of Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]- is 382.05 g/mol.
Where can I buy Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]-?
You can request a quote for Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]-?
Yes, KEHONG BIO provides custom synthesis services for Pentane-2,4-dione, 3-[5-thioxo-4-(2-p-tolyloxyethyl)-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.