methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate
TL;DR: methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate (CAS 72499-80-0) is a chemical compound with molecular formula C10H10ClN3S and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate
Also Known As: methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate
| Molecular Formula | C10H10ClN3S |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.0284 |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 72499-80-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C(NC#N)SC)Cl |
| InChIKey | YGTQNJJDKWLTDI-UHFFFAOYSA-N |
Product Overview
methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate (CAS 72499-80-0), with molecular formula C10H10ClN3S and molecular weight 239.03 g/mol. IUPAC: methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate.
Chemical Property Profile of methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate
Property Insights of methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate
The XLogP value of 3.4 indicates that methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate. Following Lipinski's Rule of Five, methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate 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'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate?
The CAS number of methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate is 72499-80-0.
What is the molecular formula of methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate?
The molecular formula of methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate is C10H10ClN3S.
What is the molecular weight of methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate?
The molecular weight of methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate is 239.03 g/mol.
Where can I buy methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate?
You can request a quote for methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-(3-chloro-4-methylphenyl)-N-cyanocarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.