O-ethyl benzoylthiocarbamate
TL;DR: O-ethyl benzoylthiocarbamate (CAS 6958-78-7) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl N-benzoylcarbamothioate
Also Known As: O-ethyl benzoylthiocarbamate, O-ethyl N-benzoylcarbamothioate, NCIOpen2_003090, O-ethyl benzoylcarbamothioate, N-(ethoxymethanethioyl)benzamide
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.7378 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 324.1537 |
Chemical Identifiers
| CAS Number | 6958-78-7 |
|---|---|
| SMILES | CCOC(=S)NC(=O)C1=CC=CC=C1 |
Product Overview
O-ethyl benzoylthiocarbamate (CAS 6958-78-7), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: O-ethyl N-benzoylcarbamothioate.
Chemical Property Profile of O-ethyl benzoylthiocarbamate
Property Insights of O-ethyl benzoylthiocarbamate
The XLogP value of 1.7378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-ethyl benzoylthiocarbamate. With a topological polar surface area (TPSA) of 38.33 Ų, O-ethyl benzoylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-ethyl benzoylthiocarbamate 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 O-ethyl benzoylthiocarbamate?
The CAS number of O-ethyl benzoylthiocarbamate is 6958-78-7.
What is the molecular formula of O-ethyl benzoylthiocarbamate?
The molecular formula of O-ethyl benzoylthiocarbamate is C10H11NO2S.
What is the molecular weight of O-ethyl benzoylthiocarbamate?
The molecular weight of O-ethyl benzoylthiocarbamate is 209.05 g/mol.
Where can I buy O-ethyl benzoylthiocarbamate?
You can request a quote for O-ethyl benzoylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-ethyl benzoylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl benzoylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.