S-苯基戊硫基氨基甲酸酯
TL;DR: S-苯基戊硫基氨基甲酸酯 (CAS 18312-38-4) is a chemical compound with molecular formula C12H17NOS and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-苯基戊硫基氨基甲酸酯
S-phenyl N-pentylcarbamothioate
Also Known As: S-phenyl N-pentylcarbamothioate, Pentylthiocarbamic acid S-phenyl ester, S-Phenyl pentylthiocarbamate, S-Phenyl pentylcarbamothioate, N-Pentylcarbamothioic acid S-phenyl ester
| Molecular Formula | C12H17NOS |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.10309 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 18312-38-4 |
|---|---|
| SMILES | CCCCCNC(=O)SC1=CC=CC=C1 |
| InChIKey | SKDVDMGVQIHVGC-UHFFFAOYSA-N |
Product Overview
S-苯基戊硫基氨基甲酸酯 (CAS 18312-38-4), with molecular formula C12H17NOS and molecular weight 223.10 g/mol. IUPAC: S-phenyl N-pentylcarbamothioate.
Chemical Property Profile of S-苯基戊硫基氨基甲酸酯
Property Insights of S-苯基戊硫基氨基甲酸酯
The XLogP value of 3.8 indicates that S-苯基戊硫基氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, S-苯基戊硫基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-苯基戊硫基氨基甲酸酯 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 S-苯基戊硫基氨基甲酸酯?
The CAS number of S-苯基戊硫基氨基甲酸酯 is 18312-38-4.
What is the molecular formula of S-苯基戊硫基氨基甲酸酯?
The molecular formula of S-苯基戊硫基氨基甲酸酯 is C12H17NOS.
What is the molecular weight of S-苯基戊硫基氨基甲酸酯?
The molecular weight of S-苯基戊硫基氨基甲酸酯 is 223.10 g/mol.
Where can I buy S-苯基戊硫基氨基甲酸酯?
You can request a quote for S-苯基戊硫基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-苯基戊硫基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for S-苯基戊硫基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.