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Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione
TL;DR: Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione (CAS 17659-17-5) is a chemical compound with molecular formula C10H11NO3S2 and molecular weight 257.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl (4-nitrophenyl)methylsulfanylmethanethioate
Also Known As: ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione, J1.163.944E, O-ethyl (4-nitrophenyl)methylsulfanylmethanethioate, Dithiocarbonic acid O-ethyl S-(4-nitrobenzyl) ester, O-Ethyl S-[(4-nitrophenyl)methyl] carbonodithioate
| Molecular Formula | C10H11NO3S2 |
|---|---|
| Molecular Weight | 257.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.01804 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 17659-17-5 |
|---|---|
| SMILES | CCOC(=S)SCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BVEDMKOMGCTFBZ-UHFFFAOYSA-N |
Product Overview
Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione (CAS 17659-17-5), with molecular formula C10H11NO3S2 and molecular weight 257.02 g/mol. IUPAC: O-ethyl (4-nitrophenyl)methylsulfanylmethanethioate.
Chemical Property Profile of Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione
Property Insights of Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione
The XLogP value of 3.3 indicates that Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione. Following Lipinski's Rule of Five, Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione has 0 hydrogen bond donor(s) and 5 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 Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione?
The CAS number of Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione is 17659-17-5.
What is the molecular formula of Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione?
The molecular formula of Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione is C10H11NO3S2.
What is the molecular weight of Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione?
The molecular weight of Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione is 257.02 g/mol.
Where can I buy Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione?
You can request a quote for Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione?
Yes, KEHONG BIO provides custom synthesis services for Ethoxy-[(4-nitrophenyl)methylsulfanyl]methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.