S-(2-Methoxyphenyl) dimethylcarbamothioate
TL;DR: S-(2-Methoxyphenyl) dimethylcarbamothioate (CAS 13511-97-2) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-methoxyphenyl) N,N-dimethylcarbamothioate
Also Known As: S-(2-Methoxyphenyl) dimethylcarbamothioate, S-(2-methoxyphenyl) N,N-dimethylcarbamothioate, J2.453.997K, 1-[(2-methoxyphenyl)sulfanyl]-N,N-dimethylformamide, Dimethylthiocarbamic acid S-(2-methoxyphenyl) ester
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 13511-97-2 |
|---|---|
| SMILES | CN(C)C(=O)SC1=CC=CC=C1OC |
| InChIKey | QVDWHRBSYCRGGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(2-Methoxyphenyl) dimethylcarbamothioate (CAS 13511-97-2), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: S-(2-methoxyphenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of S-(2-Methoxyphenyl) dimethylcarbamothioate
Property Insights of S-(2-Methoxyphenyl) dimethylcarbamothioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Methoxyphenyl) dimethylcarbamothioate. With a topological polar surface area (TPSA) of 54.8 Ų, S-(2-Methoxyphenyl) dimethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-Methoxyphenyl) dimethylcarbamothioate has 0 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 S-(2-Methoxyphenyl) dimethylcarbamothioate?
The CAS number of S-(2-Methoxyphenyl) dimethylcarbamothioate is 13511-97-2.
What is the molecular formula of S-(2-Methoxyphenyl) dimethylcarbamothioate?
The molecular formula of S-(2-Methoxyphenyl) dimethylcarbamothioate is C10H13NO2S.
What is the molecular weight of S-(2-Methoxyphenyl) dimethylcarbamothioate?
The molecular weight of S-(2-Methoxyphenyl) dimethylcarbamothioate is 211.07 g/mol.
Where can I buy S-(2-Methoxyphenyl) dimethylcarbamothioate?
You can request a quote for S-(2-Methoxyphenyl) dimethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Methoxyphenyl) dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Methoxyphenyl) dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.