1-Thiocyanohexane
TL;DR: 1-Thiocyanohexane (CAS 6803-40-3) is a chemical compound with molecular formula C7H13NS and molecular weight 143.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl thiocyanate
Also Known As: hexyl thiocyanate, 1-Thiocyanohexane, Hexylrhodanid, Thiocyanic acid, hexyl ester, hexylthiocyanate
| Molecular Formula | C7H13NS |
|---|---|
| Molecular Weight | 143.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 143.07687 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 6803-40-3 |
|---|---|
| SMILES | CCCCCCSC#N |
| InChIKey | BESHFZBHEPQOSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Thiocyanohexane (CAS 6803-40-3), with molecular formula C7H13NS and molecular weight 143.08 g/mol. IUPAC: hexyl thiocyanate.
Chemical Property Profile of 1-Thiocyanohexane
Property Insights of 1-Thiocyanohexane
The XLogP value of 3.3 indicates that 1-Thiocyanohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 1-Thiocyanohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Thiocyanohexane 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 1-Thiocyanohexane?
The CAS number of 1-Thiocyanohexane is 6803-40-3.
What is the molecular formula of 1-Thiocyanohexane?
The molecular formula of 1-Thiocyanohexane is C7H13NS.
What is the molecular weight of 1-Thiocyanohexane?
The molecular weight of 1-Thiocyanohexane is 143.08 g/mol.
Where can I buy 1-Thiocyanohexane?
You can request a quote for 1-Thiocyanohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Thiocyanohexane?
Yes, KEHONG BIO provides custom synthesis services for 1-Thiocyanohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.