![(6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](/static/products/116/1164522-45-5.png)
(6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
TL;DR: (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 1164522-45-5) is a chemical compound with molecular formula C16H10N4O3S2 and molecular weight 370.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Also Known As: (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, 5-Imino-3-methylsulfanyl-6-[1-(4-oxo-4H-chromen-3-yl)-meth-(E)-ylidene]-5,6-dihydro-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (6E)-5-azanylidene-3-methylsulfanyl-6-[(4-oxidanylidenechromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (6E)-5-imino-3-(methylsulfanyl)-6-[(4-oxo-4H-chromen-3-yl)methylidene]-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (6E)-5-imino-3-(methylthio)-6-[(4-oxo-1-benzopyran-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
| Molecular Formula | C16H10N4O3S2 |
|---|---|
| Molecular Weight | 370.02 g/mol |
| LogP | 2.73267 |
| Topological Polar Surface Area | 99.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 370.01944 |
| Heavy Atoms | 25 |
| Complexity | 1084.2216 |
Chemical Identifiers
| CAS Number | 1164522-45-5 |
|---|---|
| SMILES | CSC1=NSC2=NC(=O)/C(=C/C3=COC4=CC=CC=C4C3=O)/C(=N)N21 |
Product Overview
(6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 1164522-45-5), with molecular formula C16H10N4O3S2 and molecular weight 370.02 g/mol. IUPAC: (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one.
Chemical Property Profile of (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Property Insights of (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
The XLogP value of 2.73267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one. The TPSA of 99.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one has 1 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 (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The CAS number of (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 1164522-45-5.
What is the molecular formula of (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular formula of (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is C16H10N4O3S2.
What is the molecular weight of (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular weight of (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 370.02 g/mol.
Where can I buy (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
You can request a quote for (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-5-imino-3-methylsulfanyl-6-[(4-oxochromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.