2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine
TL;DR: 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine (CAS 40576-72-5) is a chemical compound with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine
Also Known As: (E)-2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine, 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine
| Molecular Formula | C10H12N2O2S |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06195 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 40576-72-5 |
|---|---|
| SMILES | CC(C)C=NSC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | MYNYBDIRCPCIML-UHFFFAOYSA-N |
Product Overview
2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine (CAS 40576-72-5), with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol. IUPAC: 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine.
Chemical Property Profile of 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine
Property Insights of 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine. Following Lipinski's Rule of Five, 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine 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 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine?
The CAS number of 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine is 40576-72-5.
What is the molecular formula of 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine?
The molecular formula of 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine is C10H12N2O2S.
What is the molecular weight of 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine?
The molecular weight of 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine is 224.06 g/mol.
Where can I buy 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine?
You can request a quote for 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-(3-nitrophenyl)sulfanylpropan-1-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.