![2-[(Dimethylcarbamothioyl)oxy]phenyl acetate structure](/static/products/1352/13522-31-1.webp)
2-[(Dimethylcarbamothioyl)oxy]phenyl acetate
TL;DR: 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate (CAS 13522-31-1) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylcarbamothioyloxy)phenyl] acetate
Also Known As: [2-(dimethylcarbamothioyloxy)phenyl] acetate|2-[(Dimethylcarbamothioyl)oxy]phenyl acetate|O-2-acetoxyphenyl N,N-dimethylthionocarbamate
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 13522-31-1 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1OC(=S)N(C)C |
| InChIKey | LQHXRABUYXATAZ-UHFFFAOYSA-N |
Product Overview
2-[(Dimethylcarbamothioyl)oxy]phenyl acetate (CAS 13522-31-1), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: [2-(dimethylcarbamothioyloxy)phenyl] acetate.
Chemical Property Profile of 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate
Property Insights of 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate. Following Lipinski's Rule of Five, 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate 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 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate?
The CAS number of 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate is 13522-31-1.
What is the molecular formula of 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate?
The molecular formula of 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate is C11H13NO3S.
What is the molecular weight of 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate?
The molecular weight of 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate is 239.06 g/mol.
Where can I buy 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate?
You can request a quote for 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.