Propyl thiocyanate
TL;DR: Propyl thiocyanate (CAS 4251-16-5) is a chemical compound with molecular formula C4H7NS and molecular weight 101.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl thiocyanate
Also Known As: Propyl thiocyanate, Propylthiocyanate, 1-thiocyanatopropane, Popyl Thiocyanate, propyl sulfocyanide
| Molecular Formula | C4H7NS |
|---|---|
| Molecular Weight | 101.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.02992 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 4251-16-5 |
|---|---|
| SMILES | CCCSC#N |
| InChIKey | VDQRHYCVPYJPHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl thiocyanate (CAS 4251-16-5), with molecular formula C4H7NS and molecular weight 101.03 g/mol. IUPAC: propyl thiocyanate.
Chemical Property Profile of Propyl thiocyanate
Property Insights of Propyl thiocyanate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl thiocyanate. With a topological polar surface area (TPSA) of 49.1 Ų, Propyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl thiocyanate 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 Propyl thiocyanate?
The CAS number of Propyl thiocyanate is 4251-16-5.
What is the molecular formula of Propyl thiocyanate?
The molecular formula of Propyl thiocyanate is C4H7NS.
What is the molecular weight of Propyl thiocyanate?
The molecular weight of Propyl thiocyanate is 101.03 g/mol.
Where can I buy Propyl thiocyanate?
You can request a quote for Propyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Propyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.