O-Methyl O-(4-nitrophenyl) carbonothioate
TL;DR: O-Methyl O-(4-nitrophenyl) carbonothioate (CAS 1014-94-4) is a chemical compound with molecular formula C8H7NO4S and molecular weight 213.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxy-(4-nitrophenoxy)methanethione
Also Known As: methoxy-(4-nitrophenoxy)methanethione, methyl 4-nitrophenyl thionocarbonate, O-Methyl O-(4-nitrophenyl) carbonothioate, METHOXY(4-NITROPHENOXY)METHANETHIONE, Carbonothioic acid,O-methyl O-(4-nitrophenyl) ester
| Molecular Formula | C8H7NO4S |
|---|---|
| Molecular Weight | 213.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.00958 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 1014-94-4 |
|---|---|
| SMILES | COC(=S)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | NVWVRLADZILTJW-UHFFFAOYSA-N |
Product Overview
O-Methyl O-(4-nitrophenyl) carbonothioate (CAS 1014-94-4), with molecular formula C8H7NO4S and molecular weight 213.01 g/mol. IUPAC: methoxy-(4-nitrophenoxy)methanethione.
Chemical Property Profile of O-Methyl O-(4-nitrophenyl) carbonothioate
Property Insights of O-Methyl O-(4-nitrophenyl) carbonothioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Methyl O-(4-nitrophenyl) carbonothioate. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Methyl O-(4-nitrophenyl) carbonothioate. Following Lipinski's Rule of Five, O-Methyl O-(4-nitrophenyl) carbonothioate 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 O-Methyl O-(4-nitrophenyl) carbonothioate?
The CAS number of O-Methyl O-(4-nitrophenyl) carbonothioate is 1014-94-4.
What is the molecular formula of O-Methyl O-(4-nitrophenyl) carbonothioate?
The molecular formula of O-Methyl O-(4-nitrophenyl) carbonothioate is C8H7NO4S.
What is the molecular weight of O-Methyl O-(4-nitrophenyl) carbonothioate?
The molecular weight of O-Methyl O-(4-nitrophenyl) carbonothioate is 213.01 g/mol.
Where can I buy O-Methyl O-(4-nitrophenyl) carbonothioate?
You can request a quote for O-Methyl O-(4-nitrophenyl) carbonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methyl O-(4-nitrophenyl) carbonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Methyl O-(4-nitrophenyl) carbonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.