![1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one structure](/static/products/1968/19688-55-2.webp)
1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one
TL;DR: 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one (CAS 19688-55-2) is a chemical compound with molecular formula C14H10ClNO3S and molecular weight 307.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]ethanone
Also Known As: Maybridge1_004283, 1-(4-[(4-CHLOROPHENYL)THIO]-3-NITROPHENYL)ETHAN-1-ONE, 1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]ethanone, 1-acetyl-4-(4-chlorophenylthio)-3-nitrobenzene, 1-(4-((4-Chlorophenyl)thio)-3-nitrophenyl)ethanone
| Molecular Formula | C14H10ClNO3S |
|---|---|
| Molecular Weight | 307.01 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.007 |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 19688-55-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | WQWKNHMUSMKWBF-UHFFFAOYSA-N |
Product Overview
1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one (CAS 19688-55-2), with molecular formula C14H10ClNO3S and molecular weight 307.01 g/mol. IUPAC: 1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]ethanone.
Chemical Property Profile of 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one
Property Insights of 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one
The XLogP value of 4.1 indicates that 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one. Following Lipinski's Rule of Five, 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-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-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one?
The CAS number of 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one is 19688-55-2.
What is the molecular formula of 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one?
The molecular formula of 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one is C14H10ClNO3S.
What is the molecular weight of 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one?
The molecular weight of 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one is 307.01 g/mol.
Where can I buy 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one?
You can request a quote for 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.