Ethyl benzoylcarbamodithioate
TL;DR: Ethyl benzoylcarbamodithioate (CAS 6287-87-2) is a chemical compound with molecular formula C10H11NOS2 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-benzoylcarbamodithioate
Also Known As: Ethyl benzoylcarbamodithioate, ethyl N-benzoylcarbamodithioate, ethyl benzoyldithiocarbamate
| Molecular Formula | C10H11NOS2 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 2.4544 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.02821 |
| Heavy Atoms | 14 |
| Complexity | 324.1537 |
Chemical Identifiers
| CAS Number | 6287-87-2 |
|---|---|
| SMILES | CCSC(=S)NC(=O)C1=CC=CC=C1 |
Product Overview
Ethyl benzoylcarbamodithioate (CAS 6287-87-2), with molecular formula C10H11NOS2 and molecular weight 225.03 g/mol. IUPAC: ethyl N-benzoylcarbamodithioate.
Chemical Property Profile of Ethyl benzoylcarbamodithioate
Property Insights of Ethyl benzoylcarbamodithioate
The XLogP value of 2.4544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl benzoylcarbamodithioate. With a topological polar surface area (TPSA) of 29.1 Ų, Ethyl benzoylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl benzoylcarbamodithioate 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 Ethyl benzoylcarbamodithioate?
The CAS number of Ethyl benzoylcarbamodithioate is 6287-87-2.
What is the molecular formula of Ethyl benzoylcarbamodithioate?
The molecular formula of Ethyl benzoylcarbamodithioate is C10H11NOS2.
What is the molecular weight of Ethyl benzoylcarbamodithioate?
The molecular weight of Ethyl benzoylcarbamodithioate is 225.03 g/mol.
Where can I buy Ethyl benzoylcarbamodithioate?
You can request a quote for Ethyl benzoylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl benzoylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl benzoylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.