![5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione structure](/static/products/5226/522652-63-7.webp)
5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione (CAS 522652-63-7) is a chemical compound with molecular formula C19H17N3OS3 and molecular weight 399.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Also Known As: 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)ethanone, 1-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-2-[(4-PHENYL-5-THIOXO-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL)SULFANYL]-1-ETHANONE
| Molecular Formula | C19H17N3OS3 |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 4.34029 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.05338 |
| Heavy Atoms | 26 |
| Complexity | 980.94934 |
Chemical Identifiers
| CAS Number | 522652-63-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN(C(=S)S3)C4=CC=CC=C4 |
Product Overview
5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione (CAS 522652-63-7), with molecular formula C19H17N3OS3 and molecular weight 399.05 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 4.34029 indicates that 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione has 0 hydrogen bond donor(s) and 5 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 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione is 522652-63-7.
What is the molecular formula of 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione is C19H17N3OS3.
What is the molecular weight of 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione is 399.05 g/mol.
Where can I buy 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.