O-heptan-2-yl N-ethylcarbamothioate
TL;DR: O-heptan-2-yl N-ethylcarbamothioate (CAS 120903-93-7) is a chemical compound with molecular formula C10H21NOS and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-heptan-2-yl N-ethylcarbamothioate
Also Known As: O-heptan-2-yl N-ethylcarbamothioate, N-ethyl-1-heptan-2-yloxy-methanethioamide, O-Heptan-2-yl hydrogen ethylcarbonimidothioate, O-(Heptan-2-yl) hydrogen ethylcarbonimidothioate
| Molecular Formula | C10H21NOS |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 2.8662 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 203.13438 |
| Heavy Atoms | 13 |
| Complexity | 138.88643 |
Chemical Identifiers
| CAS Number | 120903-93-7 |
|---|---|
| SMILES | CCCCCC(C)OC(=S)NCC |
Product Overview
O-heptan-2-yl N-ethylcarbamothioate (CAS 120903-93-7), with molecular formula C10H21NOS and molecular weight 203.13 g/mol. IUPAC: O-heptan-2-yl N-ethylcarbamothioate.
Chemical Property Profile of O-heptan-2-yl N-ethylcarbamothioate
Property Insights of O-heptan-2-yl N-ethylcarbamothioate
The XLogP value of 2.8662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-heptan-2-yl N-ethylcarbamothioate. With a topological polar surface area (TPSA) of 21.26 Ų, O-heptan-2-yl N-ethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-heptan-2-yl N-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-heptan-2-yl N-ethylcarbamothioate?
The CAS number of O-heptan-2-yl N-ethylcarbamothioate is 120903-93-7.
What is the molecular formula of O-heptan-2-yl N-ethylcarbamothioate?
The molecular formula of O-heptan-2-yl N-ethylcarbamothioate is C10H21NOS.
What is the molecular weight of O-heptan-2-yl N-ethylcarbamothioate?
The molecular weight of O-heptan-2-yl N-ethylcarbamothioate is 203.13 g/mol.
Where can I buy O-heptan-2-yl N-ethylcarbamothioate?
You can request a quote for O-heptan-2-yl N-ethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-heptan-2-yl N-ethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-heptan-2-yl N-ethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.