ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate
TL;DR: ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate (CAS 64981-78-8) is a chemical compound with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate
Also Known As: ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate, Ethyl 1,3-benzoxazol-2-yl(ethyl)carbamodithioate, N-benzooxazol-2-yl-n-ethyl-1-ethylsulfanyl-methanethioamide
| Molecular Formula | C12H14N2OS2 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.05475 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 64981-78-8 |
|---|---|
| SMILES | CCN(C1=NC2=CC=CC=C2O1)C(=S)SCC |
| InChIKey | SUEFTOLVWFBEFX-UHFFFAOYSA-N |
Product Overview
ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate (CAS 64981-78-8), with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol. IUPAC: ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate.
Chemical Property Profile of ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate
Property Insights of ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate
The XLogP value of 3.7 indicates that ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate. Following Lipinski's Rule of Five, ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate has 0 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-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate?
The CAS number of ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate is 64981-78-8.
What is the molecular formula of ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate?
The molecular formula of ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate is C12H14N2OS2.
What is the molecular weight of ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate?
The molecular weight of ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate is 266.05 g/mol.
Where can I buy ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate?
You can request a quote for ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(1,3-benzoxazol-2-yl)-N-ethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.