![1-[(S)-methylsulfinyl]-4-nitrobenzene structure](/static/products/940/940-12-5.png)
1-[(S)-methylsulfinyl]-4-nitrobenzene
TL;DR: 1-[(S)-methylsulfinyl]-4-nitrobenzene (CAS 940-12-5) is a chemical compound with molecular formula C7H7NO3S and molecular weight 185.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(S)-methylsulfinyl]-4-nitrobenzene
Also Known As: ulfoxide, methyl p-nitrophenyl
| Molecular Formula | C7H7NO3S |
|---|---|
| Molecular Weight | 185.01 g/mol |
| LogP | 1.3322 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.01466 |
| Heavy Atoms | 12 |
| Complexity | 286.9283 |
Chemical Identifiers
| CAS Number | 940-12-5 |
|---|---|
| SMILES | C[S@](=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
1-[(S)-methylsulfinyl]-4-nitrobenzene (CAS 940-12-5), with molecular formula C7H7NO3S and molecular weight 185.01 g/mol. IUPAC: 1-[(S)-methylsulfinyl]-4-nitrobenzene.
Chemical Property Profile of 1-[(S)-methylsulfinyl]-4-nitrobenzene
Property Insights of 1-[(S)-methylsulfinyl]-4-nitrobenzene
The XLogP value of 1.3322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(S)-methylsulfinyl]-4-nitrobenzene. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(S)-methylsulfinyl]-4-nitrobenzene. Following Lipinski's Rule of Five, 1-[(S)-methylsulfinyl]-4-nitrobenzene has 0 hydrogen bond donor(s) and 3 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 1-[(S)-methylsulfinyl]-4-nitrobenzene?
The CAS number of 1-[(S)-methylsulfinyl]-4-nitrobenzene is 940-12-5.
What is the molecular formula of 1-[(S)-methylsulfinyl]-4-nitrobenzene?
The molecular formula of 1-[(S)-methylsulfinyl]-4-nitrobenzene is C7H7NO3S.
What is the molecular weight of 1-[(S)-methylsulfinyl]-4-nitrobenzene?
The molecular weight of 1-[(S)-methylsulfinyl]-4-nitrobenzene is 185.01 g/mol.
Where can I buy 1-[(S)-methylsulfinyl]-4-nitrobenzene?
You can request a quote for 1-[(S)-methylsulfinyl]-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(S)-methylsulfinyl]-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(S)-methylsulfinyl]-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.