Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben
TL;DR: Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben (CAS 324544-88-9) is a chemical compound with molecular formula C12H15NO2S2 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(dimethylcarbamothioylsulfanylmethyl)benzoate
Also Known As: IFLab1_004152, methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben, F0861-0056, methyl 4-(dimethylcarbamothioylsulfanylmethyl)benzoate, methyl p-[(dimethylaminothiocarbonylthio)methyl]benzoate
| Molecular Formula | C12H15NO2S2 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 2.5529 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.0544 |
| Heavy Atoms | 17 |
| Complexity | 401.4716 |
Chemical Identifiers
| CAS Number | 324544-88-9 |
|---|---|
| SMILES | CN(C)C(=S)SCC1=CC=C(C=C1)C(=O)OC |
Product Overview
Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben (CAS 324544-88-9), with molecular formula C12H15NO2S2 and molecular weight 269.05 g/mol. IUPAC: methyl 4-(dimethylcarbamothioylsulfanylmethyl)benzoate.
Chemical Property Profile of Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben
Property Insights of Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben
The XLogP value of 2.5529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben. With a topological polar surface area (TPSA) of 29.54 Ų, Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben has 0 hydrogen bond donor(s) and 4 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 4-(((dimethylcarbamothioyl)thio)methyl)ben?
The CAS number of Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben is 324544-88-9.
What is the molecular formula of Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben?
The molecular formula of Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben is C12H15NO2S2.
What is the molecular weight of Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben?
The molecular weight of Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben is 269.05 g/mol.
Where can I buy Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben?
You can request a quote for Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(((dimethylcarbamothioyl)thio)methyl)ben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.