Benzeneethanethioamide, 4-methoxy-N,N-dimethyl-
TL;DR: Benzeneethanethioamide, 4-methoxy-N,N-dimethyl- (CAS 76579-52-7) is a chemical compound with molecular formula C11H15NOS and molecular weight 209.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
Also Known As: Benzeneethanethioamide, 4-methoxy-N,N-dimethyl-, Benzeneethanethioamide, N,N-dimethyl-4-methoxy-, 4-Methoxyphenyl(N,N-dimethyl)thioacetamide, N,N-Dimethyl-4-methoxybenzeneethanethioamide, 2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
| Molecular Formula | C11H15NOS |
|---|---|
| Molecular Weight | 209.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08743 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 76579-52-7 |
|---|---|
| SMILES | CN(C)C(=S)CC1=CC=C(C=C1)OC |
| InChIKey | OHDHFDYXYQEOQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneethanethioamide, 4-methoxy-N,N-dimethyl- (CAS 76579-52-7), with molecular formula C11H15NOS and molecular weight 209.09 g/mol. IUPAC: 2-(4-methoxyphenyl)-N,N-dimethylethanethioamide.
Chemical Property Profile of Benzeneethanethioamide, 4-methoxy-N,N-dimethyl-
Property Insights of Benzeneethanethioamide, 4-methoxy-N,N-dimethyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanethioamide, 4-methoxy-N,N-dimethyl-. With a topological polar surface area (TPSA) of 44.6 Ų, Benzeneethanethioamide, 4-methoxy-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanethioamide, 4-methoxy-N,N-dimethyl- 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 Benzeneethanethioamide, 4-methoxy-N,N-dimethyl-?
The CAS number of Benzeneethanethioamide, 4-methoxy-N,N-dimethyl- is 76579-52-7.
What is the molecular formula of Benzeneethanethioamide, 4-methoxy-N,N-dimethyl-?
The molecular formula of Benzeneethanethioamide, 4-methoxy-N,N-dimethyl- is C11H15NOS.
What is the molecular weight of Benzeneethanethioamide, 4-methoxy-N,N-dimethyl-?
The molecular weight of Benzeneethanethioamide, 4-methoxy-N,N-dimethyl- is 209.09 g/mol.
Where can I buy Benzeneethanethioamide, 4-methoxy-N,N-dimethyl-?
You can request a quote for Benzeneethanethioamide, 4-methoxy-N,N-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanethioamide, 4-methoxy-N,N-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanethioamide, 4-methoxy-N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.