S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate
TL;DR: S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate (CAS 13511-95-0) is a chemical compound with molecular formula C13H19NOS and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,3,5,6-tetramethylphenyl) N,N-dimethylcarbamothioate
Also Known As: S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate, S-(2,3,5,6-tetramethylphenyl) N,N-dimethylcarbamothioate
| Molecular Formula | C13H19NOS |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.11873 |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 13511-95-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)SC(=O)N(C)C)C)C |
| InChIKey | SHSYEAQNAFHXIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate (CAS 13511-95-0), with molecular formula C13H19NOS and molecular weight 237.12 g/mol. IUPAC: S-(2,3,5,6-tetramethylphenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate
Property Insights of S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate
The XLogP value of 3.7 indicates that S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate has 0 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 S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate?
The CAS number of S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate is 13511-95-0.
What is the molecular formula of S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate?
The molecular formula of S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate is C13H19NOS.
What is the molecular weight of S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate?
The molecular weight of S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate is 237.12 g/mol.
Where can I buy S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate?
You can request a quote for S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.