methyl N-(4-nitrobenzyl)dithiocarbamate
TL;DR: methyl N-(4-nitrobenzyl)dithiocarbamate (CAS 134402-53-2) 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.
methyl N-[(4-nitrophenyl)methyl]carbamodithioate
Also Known As: methyl N-(4-nitrobenzyl)dithiocarbamate, 1-methylsulfanyl-N-[(4-nitrophenyl)methyl]methanethioamide
| Molecular Formula | C9H10N2O2S2 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 2.3323 |
| 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 | 134402-53-2 |
|---|---|
| SMILES | CSC(=S)NCC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
methyl N-(4-nitrobenzyl)dithiocarbamate (CAS 134402-53-2), with molecular formula C9H10N2O2S2 and molecular weight 242.02 g/mol. IUPAC: methyl N-[(4-nitrophenyl)methyl]carbamodithioate.
Chemical Property Profile of methyl N-(4-nitrobenzyl)dithiocarbamate
Property Insights of methyl N-(4-nitrobenzyl)dithiocarbamate
The XLogP value of 2.3323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(4-nitrobenzyl)dithiocarbamate. With a topological polar surface area (TPSA) of 55.17 Ų, methyl N-(4-nitrobenzyl)dithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(4-nitrobenzyl)dithiocarbamate 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 methyl N-(4-nitrobenzyl)dithiocarbamate?
The CAS number of methyl N-(4-nitrobenzyl)dithiocarbamate is 134402-53-2.
What is the molecular formula of methyl N-(4-nitrobenzyl)dithiocarbamate?
The molecular formula of methyl N-(4-nitrobenzyl)dithiocarbamate is C9H10N2O2S2.
What is the molecular weight of methyl N-(4-nitrobenzyl)dithiocarbamate?
The molecular weight of methyl N-(4-nitrobenzyl)dithiocarbamate is 242.02 g/mol.
Where can I buy methyl N-(4-nitrobenzyl)dithiocarbamate?
You can request a quote for methyl N-(4-nitrobenzyl)dithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(4-nitrobenzyl)dithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(4-nitrobenzyl)dithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.