![S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate structure](/static/products/1351/13512-06-6.webp)
S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate
TL;DR: S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate (CAS 13512-06-6) is a chemical compound with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate
Also Known As: S,S'-1,4-Phenylene bis(dimethylcarbamothioate), S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate, 1,4-Phenylenebis(thio)bis(N,N-dimethylformamide), 1,4-Bis-(N,N-dimethyl-thiocarbamoylmercapto)-benzol, S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamot
| Molecular Formula | C12H16N2O2S2 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.0653 |
| Heavy Atoms | 18 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 13512-06-6 |
|---|---|
| SMILES | CN(C)C(=O)SC1=CC=C(C=C1)SC(=O)N(C)C |
| InChIKey | OHGINNVUDOOLSX-UHFFFAOYSA-N |
Product Overview
S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate (CAS 13512-06-6), with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol. IUPAC: S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate.
Chemical Property Profile of S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate
Property Insights of S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate. Following Lipinski's Rule of Five, S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate 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 S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate?
The CAS number of S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate is 13512-06-6.
What is the molecular formula of S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate?
The molecular formula of S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate is C12H16N2O2S2.
What is the molecular weight of S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate?
The molecular weight of S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate is 284.07 g/mol.
Where can I buy S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate?
You can request a quote for S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[4-(dimethylcarbamoylsulfanyl)phenyl] N,N-dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.