O-sec-Butyl ethylcarbamothioate
TL;DR: O-sec-Butyl ethylcarbamothioate (CAS 39078-40-5) is a chemical compound with molecular formula C7H15NOS and molecular weight 161.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-butan-2-yl N-ethylcarbamothioate
Also Known As: O-sec-Butyl ethylcarbamothioate, O-butan-2-yl N-ethylcarbamothioate, ethyl-thiocarbamic acid S-butyl ester, 1-butan-2-yloxy-N-ethyl-methanethioamide, Carbamothioic acid, ethyl-, S-butyl ester
| Molecular Formula | C7H15NOS |
|---|---|
| Molecular Weight | 161.09 g/mol |
| LogP | 1.6959 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.08743 |
| Heavy Atoms | 10 |
| Complexity | 105.77923 |
Chemical Identifiers
| CAS Number | 39078-40-5 |
|---|---|
| SMILES | CCC(C)OC(=S)NCC |
Product Overview
O-sec-Butyl ethylcarbamothioate (CAS 39078-40-5), with molecular formula C7H15NOS and molecular weight 161.09 g/mol. IUPAC: O-butan-2-yl N-ethylcarbamothioate.
Chemical Property Profile of O-sec-Butyl ethylcarbamothioate
Property Insights of O-sec-Butyl ethylcarbamothioate
The XLogP value of 1.6959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-sec-Butyl ethylcarbamothioate. With a topological polar surface area (TPSA) of 21.26 Ų, O-sec-Butyl ethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-sec-Butyl ethylcarbamothioate 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 O-sec-Butyl ethylcarbamothioate?
The CAS number of O-sec-Butyl ethylcarbamothioate is 39078-40-5.
What is the molecular formula of O-sec-Butyl ethylcarbamothioate?
The molecular formula of O-sec-Butyl ethylcarbamothioate is C7H15NOS.
What is the molecular weight of O-sec-Butyl ethylcarbamothioate?
The molecular weight of O-sec-Butyl ethylcarbamothioate is 161.09 g/mol.
Where can I buy O-sec-Butyl ethylcarbamothioate?
You can request a quote for O-sec-Butyl ethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-sec-Butyl ethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-sec-Butyl ethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.