1-((2-Nitrophenyl)sulfanyl)propan-2-one
TL;DR: 1-((2-Nitrophenyl)sulfanyl)propan-2-one (CAS 22057-28-9) is a chemical compound with molecular formula C9H9NO3S and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitrophenyl)sulfanylpropan-2-one
Also Known As: 1-[(2-nitrophenyl)sulfanyl]propan-2-one, 1-(2-nitrophenyl)sulfanylpropan-2-one, 1-({2-nitrophenyl}sulfanyl)acetone, 1-(2-Nitrophenylthio)propan-2-one, 1-((2-Nitrophenyl)sulfanyl)propan-2-one
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 2.2759 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 364.82962 |
Chemical Identifiers
| CAS Number | 22057-28-9 |
|---|---|
| SMILES | CC(=O)CSC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
1-((2-Nitrophenyl)sulfanyl)propan-2-one (CAS 22057-28-9), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: 1-(2-nitrophenyl)sulfanylpropan-2-one.
Chemical Property Profile of 1-((2-Nitrophenyl)sulfanyl)propan-2-one
Property Insights of 1-((2-Nitrophenyl)sulfanyl)propan-2-one
The XLogP value of 2.2759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((2-Nitrophenyl)sulfanyl)propan-2-one. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-Nitrophenyl)sulfanyl)propan-2-one. Following Lipinski's Rule of Five, 1-((2-Nitrophenyl)sulfanyl)propan-2-one 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 1-((2-Nitrophenyl)sulfanyl)propan-2-one?
The CAS number of 1-((2-Nitrophenyl)sulfanyl)propan-2-one is 22057-28-9.
What is the molecular formula of 1-((2-Nitrophenyl)sulfanyl)propan-2-one?
The molecular formula of 1-((2-Nitrophenyl)sulfanyl)propan-2-one is C9H9NO3S.
What is the molecular weight of 1-((2-Nitrophenyl)sulfanyl)propan-2-one?
The molecular weight of 1-((2-Nitrophenyl)sulfanyl)propan-2-one is 211.03 g/mol.
Where can I buy 1-((2-Nitrophenyl)sulfanyl)propan-2-one?
You can request a quote for 1-((2-Nitrophenyl)sulfanyl)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-Nitrophenyl)sulfanyl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Nitrophenyl)sulfanyl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.