![methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate structure](/static/products/593/59394-85-3.png)
methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate
TL;DR: methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate (CAS 59394-85-3) is a chemical compound with molecular formula C9H10ClN3S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate
Also Known As: methyl N'-(4-chlorobenzylidene)hydrazonothiocarbamate
| Molecular Formula | C9H10ClN3S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 2.3516 |
| Topological Polar Surface Area | 50.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0284 |
| Heavy Atoms | 14 |
| Complexity | 345.57962 |
Chemical Identifiers
| CAS Number | 59394-85-3 |
|---|---|
| SMILES | CS/C(=N/N=CC1=CC=C(C=C1)Cl)/N |
Product Overview
methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate (CAS 59394-85-3), with molecular formula C9H10ClN3S and molecular weight 227.03 g/mol. IUPAC: methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate.
Chemical Property Profile of methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate
Property Insights of methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate
The XLogP value of 2.3516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate. With a topological polar surface area (TPSA) of 50.74 Ų, methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate 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)methylideneamino]carbamimidothioate?
The CAS number of methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate is 59394-85-3.
What is the molecular formula of methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate?
The molecular formula of methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate is C9H10ClN3S.
What is the molecular weight of methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate?
The molecular weight of methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate is 227.03 g/mol.
Where can I buy methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate?
You can request a quote for methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate 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)methylideneamino]carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-[(4-chlorophenyl)methylideneamino]carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.