ethyl N-(4-methoxybenzenecarbothioyl)carbamate
TL;DR: ethyl N-(4-methoxybenzenecarbothioyl)carbamate (CAS 57774-72-8) 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.
ethyl N-(4-methoxybenzenecarbothioyl)carbamate
Also Known As: Maybridge4_002766, ethyl 4-methoxybenzothioylcarbamate, ethyl N-(4-methoxybenzenecarbothioyl)carbamate, IDI1_032644, ethylN-(4-methoxybenzenecarbothioyl)carbamate
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 2.1168 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 375.32098 |
Chemical Identifiers
| CAS Number | 57774-72-8 |
|---|---|
| SMILES | CCOC(=O)NC(=S)C1=CC=C(C=C1)OC |
Product Overview
ethyl N-(4-methoxybenzenecarbothioyl)carbamate (CAS 57774-72-8), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: ethyl N-(4-methoxybenzenecarbothioyl)carbamate.
Chemical Property Profile of ethyl N-(4-methoxybenzenecarbothioyl)carbamate
Property Insights of ethyl N-(4-methoxybenzenecarbothioyl)carbamate
The XLogP value of 2.1168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(4-methoxybenzenecarbothioyl)carbamate. With a topological polar surface area (TPSA) of 47.56 Ų, ethyl N-(4-methoxybenzenecarbothioyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-(4-methoxybenzenecarbothioyl)carbamate has 1 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 ethyl N-(4-methoxybenzenecarbothioyl)carbamate?
The CAS number of ethyl N-(4-methoxybenzenecarbothioyl)carbamate is 57774-72-8.
What is the molecular formula of ethyl N-(4-methoxybenzenecarbothioyl)carbamate?
The molecular formula of ethyl N-(4-methoxybenzenecarbothioyl)carbamate is C11H13NO3S.
What is the molecular weight of ethyl N-(4-methoxybenzenecarbothioyl)carbamate?
The molecular weight of ethyl N-(4-methoxybenzenecarbothioyl)carbamate is 239.06 g/mol.
Where can I buy ethyl N-(4-methoxybenzenecarbothioyl)carbamate?
You can request a quote for ethyl N-(4-methoxybenzenecarbothioyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(4-methoxybenzenecarbothioyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(4-methoxybenzenecarbothioyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.