Carbanilic acid, dithio-m-nitro-, methyl ester
TL;DR: Carbanilic acid, dithio-m-nitro-, methyl ester (CAS 13037-42-8) is a chemical compound with molecular formula C8H8N2O2S2 and molecular weight 228.00272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-(3-nitrophenyl)carbamodithioate
Also Known As: Dithio-m-nitrocarbanilic acid methyl ester, CARBANILIC ACID, DITHIO-m-NITRO-, METHYL ESTER, methyl N-(3-nitrophenyl)carbamodithioate, S-Methyl-N-(3-nitro-phenyl)-dithiocarbamat, Methyl (3-nitrophenyl)carbamodithioate
Technical Specifications
| Molecular Formula | C8H8N2O2S2 |
| Molecular Weight | 228.00272 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.00272 Da |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
| SMILES | CSC(=S)NC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | VQIAWONPMQGOEH-UHFFFAOYSA-N |
Chemical Property Profile of Carbanilic acid, dithio-m-nitro-, methyl ester
Property Insights of Carbanilic acid, dithio-m-nitro-, methyl ester
The XLogP value of 3.0 indicates that Carbanilic acid, dithio-m-nitro-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, dithio-m-nitro-, methyl ester. Following Lipinski's Rule of Five, Carbanilic acid, dithio-m-nitro-, methyl 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
What is the CAS number of Carbanilic acid, dithio-m-nitro-, methyl ester?
The CAS number of Carbanilic acid, dithio-m-nitro-, methyl ester is 13037-42-8.
What is the molecular formula of Carbanilic acid, dithio-m-nitro-, methyl ester?
The molecular formula of Carbanilic acid, dithio-m-nitro-, methyl ester is C8H8N2O2S2.
What is the molecular weight of Carbanilic acid, dithio-m-nitro-, methyl ester?
The molecular weight of Carbanilic acid, dithio-m-nitro-, methyl ester is 228.00272 g/mol.
Where can I buy Carbanilic acid, dithio-m-nitro-, methyl ester?
You can request a quote for Carbanilic acid, dithio-m-nitro-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbanilic acid, dithio-m-nitro-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Carbanilic acid, dithio-m-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.