4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride
TL;DR: 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride (CAS 6378-21-8) is a chemical compound with molecular formula C9H12ClN3O3S and molecular weight 277.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxy-3-nitrophenyl)methyl carbamimidothioate;hydrochloride
Also Known As: 4-methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride, 4-methoxy-3-nitrobenzyl carbamimidothioate hydrochloride, (4-methoxy-3-nitrophenyl)methyl carbamimidothioate hydrochloride
| Molecular Formula | C9H12ClN3O3S |
|---|---|
| Molecular Weight | 277.03 g/mol |
| LogP | 2.15187 |
| Topological Polar Surface Area | 102.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.02878 |
| Heavy Atoms | 17 |
| Complexity | 427.94714 |
Chemical Identifiers
| CAS Number | 6378-21-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC(=N)N)[N+](=O)[O-].Cl |
Product Overview
4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride (CAS 6378-21-8), with molecular formula C9H12ClN3O3S and molecular weight 277.03 g/mol. IUPAC: (4-methoxy-3-nitrophenyl)methyl carbamimidothioate;hydrochloride.
Chemical Property Profile of 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride
Property Insights of 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride
The XLogP value of 2.15187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride. The TPSA of 102.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride. Following Lipinski's Rule of Five, 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride has 2 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 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride?
The CAS number of 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride is 6378-21-8.
What is the molecular formula of 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride?
The molecular formula of 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride is C9H12ClN3O3S.
What is the molecular weight of 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride?
The molecular weight of 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride is 277.03 g/mol.
Where can I buy 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride?
You can request a quote for 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-nitrobenzyl imidothiocarbamate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.