Pentyl 2-thiocyanatopropanoate
TL;DR: Pentyl 2-thiocyanatopropanoate (CAS 7678-43-5) is a chemical compound with molecular formula C9H15NO2S and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-thiocyanatopropanoate
Also Known As: pentyl 2-thiocyanatopropanoate, Pentyl 2-(thiocyanato)propanoate, 2-THIOCYANATOPROPIONIC ACID,PENTYL ESTER, 2-THIOCYANATOPROPIONIC ACID, PENTYL ESTER
| Molecular Formula | C9H15NO2S |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 201.08235 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 7678-43-5 |
|---|---|
| SMILES | CCCCCOC(=O)C(C)SC#N |
| InChIKey | PZTYPGZCKTWAAV-UHFFFAOYSA-N |
Product Overview
Pentyl 2-thiocyanatopropanoate (CAS 7678-43-5), with molecular formula C9H15NO2S and molecular weight 201.08 g/mol. IUPAC: pentyl 2-thiocyanatopropanoate.
Chemical Property Profile of Pentyl 2-thiocyanatopropanoate
Property Insights of Pentyl 2-thiocyanatopropanoate
The XLogP value of 3.0 indicates that Pentyl 2-thiocyanatopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentyl 2-thiocyanatopropanoate. Following Lipinski's Rule of Five, Pentyl 2-thiocyanatopropanoate has 0 hydrogen bond donor(s) and 4 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 Pentyl 2-thiocyanatopropanoate?
The CAS number of Pentyl 2-thiocyanatopropanoate is 7678-43-5.
What is the molecular formula of Pentyl 2-thiocyanatopropanoate?
The molecular formula of Pentyl 2-thiocyanatopropanoate is C9H15NO2S.
What is the molecular weight of Pentyl 2-thiocyanatopropanoate?
The molecular weight of Pentyl 2-thiocyanatopropanoate is 201.08 g/mol.
Where can I buy Pentyl 2-thiocyanatopropanoate?
You can request a quote for Pentyl 2-thiocyanatopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-thiocyanatopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-thiocyanatopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.