N-ethylmorpholine-4-carbothioamide
TL;DR: N-ethylmorpholine-4-carbothioamide (CAS 59983-54-9) is a chemical compound with molecular formula C7H14N2OS and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethylmorpholine-4-carbothioamide
Also Known As: N-ethylmorpholine-4-carbothioamide, TimTec1_001754, 4-Morpholinecarbothioamide,N-ethyl-(9CI), 4-morpholinecarbothioamide,n-ethyl-, (ethylamino)morpholin-4-ylmethane-1-thione
| Molecular Formula | C7H14N2OS |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.08269 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 59983-54-9 |
|---|---|
| SMILES | CCNC(=S)N1CCOCC1 |
| InChIKey | JMZARZDQEOBIGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-ethylmorpholine-4-carbothioamide (CAS 59983-54-9), with molecular formula C7H14N2OS and molecular weight 174.08 g/mol. IUPAC: N-ethylmorpholine-4-carbothioamide.
Chemical Property Profile of N-ethylmorpholine-4-carbothioamide
Property Insights of N-ethylmorpholine-4-carbothioamide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethylmorpholine-4-carbothioamide. With a topological polar surface area (TPSA) of 56.6 Ų, N-ethylmorpholine-4-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethylmorpholine-4-carbothioamide 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 N-ethylmorpholine-4-carbothioamide?
The CAS number of N-ethylmorpholine-4-carbothioamide is 59983-54-9.
What is the molecular formula of N-ethylmorpholine-4-carbothioamide?
The molecular formula of N-ethylmorpholine-4-carbothioamide is C7H14N2OS.
What is the molecular weight of N-ethylmorpholine-4-carbothioamide?
The molecular weight of N-ethylmorpholine-4-carbothioamide is 174.08 g/mol.
Where can I buy N-ethylmorpholine-4-carbothioamide?
You can request a quote for N-ethylmorpholine-4-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethylmorpholine-4-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethylmorpholine-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.