methyl N,N'-bis(4-methylphenyl)imidothiocarbamate
TL;DR: methyl N,N'-bis(4-methylphenyl)imidothiocarbamate (CAS 5480-19-3) is a chemical compound with molecular formula C16H18N2S and molecular weight 270.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N,N'-bis(4-methylphenyl)carbamimidothioate
Also Known As: BIM-0021862.P001, methyl N,N'-bis(4-methylphenyl)carbamimidothioate, methyl N,N'-bis(4-methylphenyl)imidothiocarbamate
| Molecular Formula | C16H18N2S |
|---|---|
| Molecular Weight | 270.12 g/mol |
| LogP | 4.76604 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.11908 |
| Heavy Atoms | 19 |
| Complexity | 556.30774 |
Chemical Identifiers
| CAS Number | 5480-19-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C)SC |
Product Overview
methyl N,N'-bis(4-methylphenyl)imidothiocarbamate (CAS 5480-19-3), with molecular formula C16H18N2S and molecular weight 270.12 g/mol. IUPAC: methyl N,N'-bis(4-methylphenyl)carbamimidothioate.
Chemical Property Profile of methyl N,N'-bis(4-methylphenyl)imidothiocarbamate
Property Insights of methyl N,N'-bis(4-methylphenyl)imidothiocarbamate
The XLogP value of 4.76604 indicates that methyl N,N'-bis(4-methylphenyl)imidothiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, methyl N,N'-bis(4-methylphenyl)imidothiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N,N'-bis(4-methylphenyl)imidothiocarbamate has 1 hydrogen bond donor(s) and 2 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,N'-bis(4-methylphenyl)imidothiocarbamate?
The CAS number of methyl N,N'-bis(4-methylphenyl)imidothiocarbamate is 5480-19-3.
What is the molecular formula of methyl N,N'-bis(4-methylphenyl)imidothiocarbamate?
The molecular formula of methyl N,N'-bis(4-methylphenyl)imidothiocarbamate is C16H18N2S.
What is the molecular weight of methyl N,N'-bis(4-methylphenyl)imidothiocarbamate?
The molecular weight of methyl N,N'-bis(4-methylphenyl)imidothiocarbamate is 270.12 g/mol.
Where can I buy methyl N,N'-bis(4-methylphenyl)imidothiocarbamate?
You can request a quote for methyl N,N'-bis(4-methylphenyl)imidothiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N,N'-bis(4-methylphenyl)imidothiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N,N'-bis(4-methylphenyl)imidothiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.