N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester
TL;DR: N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester (CAS 19622-08-3) is a chemical compound with molecular formula C8H18N2OS and molecular weight 190.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-[3-(dimethylamino)propyl]carbamothioate
Also Known As: PROTHIOCARB, Prothiocarb [ISO], S-ethyl (3-dimethylaminopropyl)thiocarbamate, S-ethyl N-[3-(dimethylamino)propyl]carbamothioate, S-ethyl [3-(dimethylamino)propyl]carbamothioate
| Molecular Formula | C8H18N2OS |
|---|---|
| Molecular Weight | 190.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.11398 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 19622-08-3 |
|---|---|
| SMILES | CCSC(=O)NCCCN(C)C |
| InChIKey | YRRBXJLFCBCKNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester (CAS 19622-08-3), with molecular formula C8H18N2OS and molecular weight 190.11 g/mol. IUPAC: S-ethyl N-[3-(dimethylamino)propyl]carbamothioate.
Chemical Property Profile of N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester
Property Insights of N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester. With a topological polar surface area (TPSA) of 57.6 Ų, N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester has 1 hydrogen bond donor(s) and 3 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-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester?
The CAS number of N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester is 19622-08-3.
What is the molecular formula of N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester?
The molecular formula of N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester is C8H18N2OS.
What is the molecular weight of N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester?
The molecular weight of N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester is 190.11 g/mol.
Where can I buy N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester?
You can request a quote for N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.