![(6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](/static/products/575/575465-82-6.webp)
(6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
TL;DR: (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 575465-82-6) is a chemical compound with molecular formula C19H14N4O2S2 and molecular weight 394.05582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-3-benzylsulfanyl-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Also Known As: (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, 3-Benzylsulfanyl-6-[1-(4-hydroxy-phenyl)-meth-(Z)-ylidene]-5-imino-5,6-dihydro-[1,2,4]thiadiazolo[4,5-a] pyrimidin-7-one, 5-amino-3-benzylsulfanyl-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (Z)-3-(benzylthio)-6-(4-hydroxybenzylidene)-5-imino-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7(6H)-one, 5-amino-3-(benzylthio)-6-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Technical Specifications
| Molecular Formula | C19H14N4O2S2 |
| Molecular Weight | 394.05582 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.05582 Da |
| Heavy Atoms | 27 |
| Complexity | 843.0 |
| SMILES | C1=CC=C(C=C1)CSC2=NSC3=NC(=O)C(=C(N32)N)C=C4C=CC(=O)C=C4 |
| InChIKey | QMTYUSOLIMYTSR-UHFFFAOYSA-N |
Chemical Property Profile of (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Property Insights of (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The CAS number of (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 575465-82-6.
What is the molecular formula of (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular formula of (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is C19H14N4O2S2.
What is the molecular weight of (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular weight of (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 394.05582 g/mol.
Where can I buy (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
You can request a quote for (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
Yes, CoreyChem provides custom synthesis services for (6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.