methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate
TL;DR: methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate (CAS 63479-80-1) is a chemical compound with molecular formula C9H8ClN3S and molecular weight 225.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-(4-chlorophenyl)-N-cyanocarbamimidothioate
Also Known As: TimTec1_000611, methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate, methyl N-(4-chlorophenyl)-N'-cyanocarbamimidothioate, N-cyano-N'-p-chlorophenyl-S-methylisothiourea, methyl N'-(4-chlorophenyl)-N-cyanocarbamimidothioate
| Molecular Formula | C9H8ClN3S |
|---|---|
| Molecular Weight | 225.01 g/mol |
| LogP | 2.76118 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.01274 |
| Heavy Atoms | 14 |
| Complexity | 366.6386 |
Chemical Identifiers
| CAS Number | 63479-80-1 |
|---|---|
| SMILES | CSC(=NC1=CC=C(C=C1)Cl)NC#N |
Product Overview
methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate (CAS 63479-80-1), with molecular formula C9H8ClN3S and molecular weight 225.01 g/mol. IUPAC: methyl N'-(4-chlorophenyl)-N-cyanocarbamimidothioate.
Chemical Property Profile of methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate
Property Insights of methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate
The XLogP value of 2.76118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate. With a topological polar surface area (TPSA) of 48.18 Ų, methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate has 1 hydrogen bond donor(s) and 3 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-chlorophenyl)-N'-cyanoimidothiocarbamate?
The CAS number of methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate is 63479-80-1.
What is the molecular formula of methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate?
The molecular formula of methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate is C9H8ClN3S.
What is the molecular weight of methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate?
The molecular weight of methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate is 225.01 g/mol.
Where can I buy methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate?
You can request a quote for methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate 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-chlorophenyl)-N'-cyanoimidothiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(4-chlorophenyl)-N'-cyanoimidothiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.