Ethylthiourethan
TL;DR: Ethylthiourethan (CAS 998-98-1) is a chemical compound with molecular formula C5H11NOS and molecular weight 133.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl N-ethylcarbamothioate
Also Known As: Ethylthiourethan, N-ethylethoxycarbothioamide, O-Ethyl ethylcarbamothioate, O-ethyl N-ethylcarbamothioate, N-Ethyl O-ethyl thiocarbamate
| Molecular Formula | C5H11NOS |
|---|---|
| Molecular Weight | 133.06 g/mol |
| LogP | 0.9173 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 133.05614 |
| Heavy Atoms | 8 |
| Complexity | 66.82892 |
Chemical Identifiers
| CAS Number | 998-98-1 |
|---|---|
| SMILES | CCNC(=S)OCC |
Product Overview
Ethylthiourethan (CAS 998-98-1), with molecular formula C5H11NOS and molecular weight 133.06 g/mol. IUPAC: O-ethyl N-ethylcarbamothioate.
Chemical Property Profile of Ethylthiourethan
Property Insights of Ethylthiourethan
The XLogP value of 0.9173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylthiourethan. With a topological polar surface area (TPSA) of 21.26 Ų, Ethylthiourethan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylthiourethan 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 Ethylthiourethan?
The CAS number of Ethylthiourethan is 998-98-1.
What is the molecular formula of Ethylthiourethan?
The molecular formula of Ethylthiourethan is C5H11NOS.
What is the molecular weight of Ethylthiourethan?
The molecular weight of Ethylthiourethan is 133.06 g/mol.
Where can I buy Ethylthiourethan?
You can request a quote for Ethylthiourethan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylthiourethan?
Yes, KEHONG BIO provides custom synthesis services for Ethylthiourethan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.