![[5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate structure](/static/products/7066/7066-47-9.webp)
[5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate
TL;DR: [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate (CAS 7066-47-9) is a chemical compound with molecular formula C15H12N2O3S2 and molecular weight 332.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate
Also Known As: [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate|4-methyl-N-(3-methyl-4-oxo-5-thiocyanato-1-cyclohexa-2,5-dienylidene)benzenesulfonamide|5-Methyl-3-[(4-methylbenzene-1-sulfonyl)imino]-6-oxocyclohexa-1,4-dien-1-yl thiocyanate
| Molecular Formula | C15H12N2O3S2 |
|---|---|
| Molecular Weight | 332.03 g/mol |
| LogP | 2.7519 |
| Topological Polar Surface Area | 87.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.02893 |
| Heavy Atoms | 22 |
| Complexity | 855.04376 |
Chemical Identifiers
| CAS Number | 7066-47-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C(=C2)SC#N)C |
Product Overview
[5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate (CAS 7066-47-9), with molecular formula C15H12N2O3S2 and molecular weight 332.03 g/mol. IUPAC: [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate.
Chemical Property Profile of [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate
Property Insights of [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate
The XLogP value of 2.7519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate. The TPSA of 87.36 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate. Following Lipinski's Rule of Five, [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate 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-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate?
The CAS number of [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate is 7066-47-9.
What is the molecular formula of [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate?
The molecular formula of [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate is C15H12N2O3S2.
What is the molecular weight of [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate?
The molecular weight of [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate is 332.03 g/mol.
Where can I buy [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate?
You can request a quote for [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [5-methyl-3-(4-methylphenyl)sulfonylimino-6-oxocyclohexa-1,4-dien-1-yl] thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.