Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-
TL;DR: Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)- (CAS 27691-52-7) is a chemical compound with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-(4-nitrophenyl)imino-λ4-sulfane
Also Known As: dimethyl-(4-nitrophenyl)imino-, Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-, Sulfane, dimethyl(4-nitrophenylimino)-, S,S-Dimethyl-N-(4-nitrophenyl)sulfimine, (Dimethylsulfonio)(4-nitrophenyl)amineanion
| Molecular Formula | C8H10N2O2S |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.0463 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 27691-52-7 |
|---|---|
| SMILES | CS(=NC1=CC=C(C=C1)[N+](=O)[O-])C |
| InChIKey | POZIUJIGHWDMHI-UHFFFAOYSA-N |
Product Overview
Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)- (CAS 27691-52-7), with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol. IUPAC: dimethyl-(4-nitrophenyl)imino-λ4-sulfane.
Chemical Property Profile of Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-
Property Insights of Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-. Following Lipinski's Rule of Five, Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)- has 0 hydrogen bond donor(s) and 4 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 Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-?
The CAS number of Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)- is 27691-52-7.
What is the molecular formula of Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-?
The molecular formula of Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)- is C8H10N2O2S.
What is the molecular weight of Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-?
The molecular weight of Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)- is 198.05 g/mol.
Where can I buy Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-?
You can request a quote for Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.