S-(4-hydroxyphenyl) dimethylcarbamothioate
TL;DR: S-(4-hydroxyphenyl) dimethylcarbamothioate (CAS 13511-99-4) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-hydroxyphenyl) N,N-dimethylcarbamothioate
Also Known As: S-(4-hydroxyphenyl) dimethylcarbamothioate, S-4-Hydroxyphenyl dimethylcarbamothioate, S-(4-hydroxyphenyl) N,N-dimethylcarbamothioate, dimethyl-thiocarbamic acid s-(4-phenoxyphenyl) ester
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 13511-99-4 |
|---|---|
| SMILES | CN(C)C(=O)SC1=CC=C(C=C1)O |
| InChIKey | DXGCHPHQRFGPHL-UHFFFAOYSA-N |
Product Overview
S-(4-hydroxyphenyl) dimethylcarbamothioate (CAS 13511-99-4), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: S-(4-hydroxyphenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of S-(4-hydroxyphenyl) dimethylcarbamothioate
Property Insights of S-(4-hydroxyphenyl) dimethylcarbamothioate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(4-hydroxyphenyl) dimethylcarbamothioate. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-hydroxyphenyl) dimethylcarbamothioate. Following Lipinski's Rule of Five, S-(4-hydroxyphenyl) dimethylcarbamothioate has 1 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-(4-hydroxyphenyl) dimethylcarbamothioate?
The CAS number of S-(4-hydroxyphenyl) dimethylcarbamothioate is 13511-99-4.
What is the molecular formula of S-(4-hydroxyphenyl) dimethylcarbamothioate?
The molecular formula of S-(4-hydroxyphenyl) dimethylcarbamothioate is C9H11NO2S.
What is the molecular weight of S-(4-hydroxyphenyl) dimethylcarbamothioate?
The molecular weight of S-(4-hydroxyphenyl) dimethylcarbamothioate is 197.05 g/mol.
Where can I buy S-(4-hydroxyphenyl) dimethylcarbamothioate?
You can request a quote for S-(4-hydroxyphenyl) 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-hydroxyphenyl) dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-hydroxyphenyl) dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.