硫氰酸2-(2'-氯乙氧基)乙酯
TL;DR: 硫氰酸2-(2'-氯乙氧基)乙酯 (CAS 55982-45-1) is a chemical compound with molecular formula C5H8ClNOS and molecular weight 165.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸2-(2'-氯乙氧基)乙酯
2-(2-chloroethoxy)ethyl thiocyanate
Also Known As: Compound 47, Latka 47 [Czech], Latka 47, 2-(2-chloroethoxy)ethyl thiocyanate, 4,9-Diamantanedicarboxylic acid
| Molecular Formula | C5H8ClNOS |
|---|---|
| Molecular Weight | 165.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 165.00151 |
| Heavy Atoms | 9 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 55982-45-1 |
|---|---|
| SMILES | C(CSC#N)OCCCl |
| InChIKey | IQJWXYSVLWVEJZ-UHFFFAOYSA-N |
Product Overview
硫氰酸2-(2'-氯乙氧基)乙酯 (CAS 55982-45-1), with molecular formula C5H8ClNOS and molecular weight 165.00 g/mol. IUPAC: 2-(2-chloroethoxy)ethyl thiocyanate.
Chemical Property Profile of 硫氰酸2-(2'-氯乙氧基)乙酯
Property Insights of 硫氰酸2-(2'-氯乙氧基)乙酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫氰酸2-(2'-氯乙氧基)乙酯. With a topological polar surface area (TPSA) of 58.3 Ų, 硫氰酸2-(2'-氯乙氧基)乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫氰酸2-(2'-氯乙氧基)乙酯 has 0 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 硫氰酸2-(2'-氯乙氧基)乙酯?
The CAS number of 硫氰酸2-(2'-氯乙氧基)乙酯 is 55982-45-1.
What is the molecular formula of 硫氰酸2-(2'-氯乙氧基)乙酯?
The molecular formula of 硫氰酸2-(2'-氯乙氧基)乙酯 is C5H8ClNOS.
What is the molecular weight of 硫氰酸2-(2'-氯乙氧基)乙酯?
The molecular weight of 硫氰酸2-(2'-氯乙氧基)乙酯 is 165.00 g/mol.
Where can I buy 硫氰酸2-(2'-氯乙氧基)乙酯?
You can request a quote for 硫氰酸2-(2'-氯乙氧基)乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸2-(2'-氯乙氧基)乙酯?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸2-(2'-氯乙氧基)乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.