Thiocyanic acid, pentyl ester
TL;DR: Thiocyanic acid, pentyl ester (CAS 32446-40-5) is a chemical compound with molecular formula C6H11NS and molecular weight 129.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl thiocyanate
Also Known As: n-Amyl thiocyanate, pentyl thiocyanate, Pentylthiocyanate, Amylrhodanid, Pentylthiocyanat
| Molecular Formula | C6H11NS |
|---|---|
| Molecular Weight | 129.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.06122 |
| Heavy Atoms | 8 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 32446-40-5 |
|---|---|
| SMILES | CCCCCSC#N |
| InChIKey | HHAHSQJCFOPSFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiocyanic acid, pentyl ester (CAS 32446-40-5), with molecular formula C6H11NS and molecular weight 129.06 g/mol. IUPAC: pentyl thiocyanate.
Chemical Property Profile of Thiocyanic acid, pentyl ester
Property Insights of Thiocyanic acid, pentyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, pentyl ester. With a topological polar surface area (TPSA) of 49.1 Ų, Thiocyanic acid, pentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, pentyl ester 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 Thiocyanic acid, pentyl ester?
The CAS number of Thiocyanic acid, pentyl ester is 32446-40-5.
What is the molecular formula of Thiocyanic acid, pentyl ester?
The molecular formula of Thiocyanic acid, pentyl ester is C6H11NS.
What is the molecular weight of Thiocyanic acid, pentyl ester?
The molecular weight of Thiocyanic acid, pentyl ester is 129.06 g/mol.
Where can I buy Thiocyanic acid, pentyl ester?
You can request a quote for Thiocyanic acid, pentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.