Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
TL;DR: Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)- (CAS 84452-55-1) is a chemical compound with molecular formula C12H8N2O3S and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)sulfanyliminocyclohexa-2,5-dien-1-one
Also Known As: N-4-nitrophenylthio-1,4-benzoquonone imine, 4-(4-nitrophenyl)sulfanyliminocyclohexa-2,5-dien-1-one, Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-, benzo-1,4-quinone 1-[S-(4-nitrophenyl)thioxime], 4-(4-nitrophenylsulfanylimino)-2,5-cyclo-hexadienone
| Molecular Formula | C12H8N2O3S |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 2.738 |
| Topological Polar Surface Area | 72.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.02557 |
| Heavy Atoms | 18 |
| Complexity | 555.49023 |
Chemical Identifiers
| CAS Number | 84452-55-1 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=NSC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)- (CAS 84452-55-1), with molecular formula C12H8N2O3S and molecular weight 260.03 g/mol. IUPAC: 4-(4-nitrophenyl)sulfanyliminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
Property Insights of Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
The XLogP value of 2.738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-. The TPSA of 72.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-. Following Lipinski's Rule of Five, Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)- 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 Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-?
The CAS number of Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)- is 84452-55-1.
What is the molecular formula of Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-?
The molecular formula of Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)- is C12H8N2O3S.
What is the molecular weight of Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-?
The molecular weight of Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)- is 260.03 g/mol.
Where can I buy Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-?
You can request a quote for Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfenamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.