![1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene structure](/static/products/861/861212-31-9.png)
1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene
TL;DR: 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene (CAS 861212-31-9) is a chemical compound with molecular formula C15H15ClN2S and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-[(4-chlorophenyl)methyl]-N-phenylcarbamimidothioate
Also Known As: 3M-301S, 1-chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene, methyl N'-[(4-chlorophenyl)methyl]-N-phenylcarbamimidothioate, (E)-N-[(4-chlorophenyl)methyl]-N'-phenyl(methylsulfanyl)methanimidamide, N'-[(4-chlorophenyl)methyl]-1-methylsulfanyl-N-phenyl-methanimidamide
| Molecular Formula | C15H15ClN2S |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 4.6711 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.06445 |
| Heavy Atoms | 19 |
| Complexity | 537.83185 |
Chemical Identifiers
| CAS Number | 861212-31-9 |
|---|---|
| SMILES | CSC(=NCC1=CC=C(C=C1)Cl)NC2=CC=CC=C2 |
Product Overview
1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene (CAS 861212-31-9), with molecular formula C15H15ClN2S and molecular weight 290.06 g/mol. IUPAC: methyl N'-[(4-chlorophenyl)methyl]-N-phenylcarbamimidothioate.
Chemical Property Profile of 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene
Property Insights of 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene
The XLogP value of 4.6711 indicates that 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene 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 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene?
The CAS number of 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene is 861212-31-9.
What is the molecular formula of 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene?
The molecular formula of 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene is C15H15ClN2S.
What is the molecular weight of 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene?
The molecular weight of 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene is 290.06 g/mol.
Where can I buy 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene?
You can request a quote for 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-({[(methylsulfanyl)(phenylimino)methyl]amino}methyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.