S-Allyl diethylthiocarbamate
TL;DR: S-Allyl diethylthiocarbamate (CAS 18283-58-4) is a chemical compound with molecular formula C8H15NOS and molecular weight 173.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-prop-2-enyl N,N-diethylcarbamothioate
Also Known As: S-allyl diethylthiocarbamate, S-prop-2-enyl N,N-diethylcarbamothioate, N,N-diethyl-1-prop-2-enylsulfanyl-formamide, Carbamic acid, diethylthio-, S-allyl ester, S-(Prop-2-en-1-yl) diethylcarbamothioate
| Molecular Formula | C8H15NOS |
|---|---|
| Molecular Weight | 173.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.08743 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 18283-58-4 |
|---|---|
| SMILES | CCN(CC)C(=O)SCC=C |
| InChIKey | XIVRQWGPOVHYJI-UHFFFAOYSA-N |
Product Overview
S-Allyl diethylthiocarbamate (CAS 18283-58-4), with molecular formula C8H15NOS and molecular weight 173.09 g/mol. IUPAC: S-prop-2-enyl N,N-diethylcarbamothioate.
Chemical Property Profile of S-Allyl diethylthiocarbamate
Property Insights of S-Allyl diethylthiocarbamate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Allyl diethylthiocarbamate. With a topological polar surface area (TPSA) of 45.6 Ų, S-Allyl diethylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Allyl diethylthiocarbamate has 0 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 S-Allyl diethylthiocarbamate?
The CAS number of S-Allyl diethylthiocarbamate is 18283-58-4.
What is the molecular formula of S-Allyl diethylthiocarbamate?
The molecular formula of S-Allyl diethylthiocarbamate is C8H15NOS.
What is the molecular weight of S-Allyl diethylthiocarbamate?
The molecular weight of S-Allyl diethylthiocarbamate is 173.09 g/mol.
Where can I buy S-Allyl diethylthiocarbamate?
You can request a quote for S-Allyl diethylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Allyl diethylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-Allyl diethylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.