Carbanilic acid, dithio-p-nitro-, ethyl ester
TL;DR: Carbanilic acid, dithio-p-nitro-, ethyl ester (CAS 13037-41-7) is a chemical compound with molecular formula C9H10N2O2S2 and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-nitrophenyl)carbamodithioate
Also Known As: ethyl N-(4-nitrophenyl)carbamodithioate, Dithio-p-nitrocarbanilic acid ethyl ester, ethyl 4-nitrophenyldithiocarbamate, p-Nitrophenyldithiocarbamic acid ethyl ester, Ethyl (4-nitrophenyl)carbamodithioate
| Molecular Formula | C9H10N2O2S2 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 3.0447 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.01837 |
| Heavy Atoms | 15 |
| Complexity | 364.88004 |
Chemical Identifiers
| CAS Number | 13037-41-7 |
|---|---|
| SMILES | CCSC(=S)NC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Carbanilic acid, dithio-p-nitro-, ethyl ester (CAS 13037-41-7), with molecular formula C9H10N2O2S2 and molecular weight 242.02 g/mol. IUPAC: ethyl N-(4-nitrophenyl)carbamodithioate.
Chemical Property Profile of Carbanilic acid, dithio-p-nitro-, ethyl ester
Property Insights of Carbanilic acid, dithio-p-nitro-, ethyl ester
The XLogP value of 3.0447 indicates that Carbanilic acid, dithio-p-nitro-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, Carbanilic acid, dithio-p-nitro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, dithio-p-nitro-, ethyl ester has 1 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 Carbanilic acid, dithio-p-nitro-, ethyl ester?
The CAS number of Carbanilic acid, dithio-p-nitro-, ethyl ester is 13037-41-7.
What is the molecular formula of Carbanilic acid, dithio-p-nitro-, ethyl ester?
The molecular formula of Carbanilic acid, dithio-p-nitro-, ethyl ester is C9H10N2O2S2.
What is the molecular weight of Carbanilic acid, dithio-p-nitro-, ethyl ester?
The molecular weight of Carbanilic acid, dithio-p-nitro-, ethyl ester is 242.02 g/mol.
Where can I buy Carbanilic acid, dithio-p-nitro-, ethyl ester?
You can request a quote for Carbanilic acid, dithio-p-nitro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, dithio-p-nitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, dithio-p-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.