![(6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](/static/products/1164/1164463-15-3.webp)
(6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
TL;DR: (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 1164463-15-3) is a chemical compound with molecular formula C17H12N4OS3 and molecular weight 384.01733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Also Known As: (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, 3-(benzylthio)-5-imino-6-(2-thienylmethylene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (6Z)-3-(benzylthio)-5-imino-6-(2-thenylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (6Z)-3-(benzylsulfanyl)-5-imino-6-(thiophen-2-ylmethylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (6Z)-5-azanylidene-3-(phenylmethylsulfanyl)-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Technical Specifications
| Molecular Formula | C17H12N4OS3 |
| Molecular Weight | 384.01733 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.01733 Da |
| Heavy Atoms | 25 |
| Complexity | 667.0 |
| SMILES | C1=CC=C(C=C1)CSC2=NSC3=NC(=O)/C(=C\C4=CC=CS4)/C(=N)N32 |
| InChIKey | CJXXFYAGYYIVCZ-KXXGJRMMSA-N |
Chemical Property Profile of (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Property Insights of (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
The XLogP value of 4.0 indicates that (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[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-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The CAS number of (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 1164463-15-3.
What is the molecular formula of (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular formula of (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is C17H12N4OS3.
What is the molecular weight of (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular weight of (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 384.01733 g/mol.
Where can I buy (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
You can request a quote for (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[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-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
Yes, CoreyChem provides custom synthesis services for (6Z)-3-benzylsulfanyl-5-imino-6-(thiophen-2-ylmethylidene)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.