Ethyl N-phenylcarbamodithioate
TL;DR: Ethyl N-phenylcarbamodithioate (CAS 13037-20-2) is a chemical compound with molecular formula C9H11NS2 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-phenylcarbamodithioate
Also Known As: ZEPC, ethyl N-phenylcarbamodithioate, Ethyl phenyldithiocarbamate, Ethyl N-phenyldithiocarbamate, ethyl phenylcarbamodithioate
| Molecular Formula | C9H11NS2 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 3.1365 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.0333 |
| Heavy Atoms | 12 |
| Complexity | 245.96527 |
Chemical Identifiers
| CAS Number | 13037-20-2 |
|---|---|
| SMILES | CCSC(=S)NC1=CC=CC=C1 |
Product Overview
Ethyl N-phenylcarbamodithioate (CAS 13037-20-2), with molecular formula C9H11NS2 and molecular weight 197.03 g/mol. IUPAC: ethyl N-phenylcarbamodithioate.
Chemical Property Profile of Ethyl N-phenylcarbamodithioate
Property Insights of Ethyl N-phenylcarbamodithioate
The XLogP value of 3.1365 indicates that Ethyl N-phenylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Ethyl N-phenylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-phenylcarbamodithioate has 1 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 Ethyl N-phenylcarbamodithioate?
The CAS number of Ethyl N-phenylcarbamodithioate is 13037-20-2.
What is the molecular formula of Ethyl N-phenylcarbamodithioate?
The molecular formula of Ethyl N-phenylcarbamodithioate is C9H11NS2.
What is the molecular weight of Ethyl N-phenylcarbamodithioate?
The molecular weight of Ethyl N-phenylcarbamodithioate is 197.03 g/mol.
Where can I buy Ethyl N-phenylcarbamodithioate?
You can request a quote for Ethyl N-phenylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-phenylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-phenylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.