Isopropyl thiocyanate
TL;DR: Isopropyl thiocyanate (CAS 67120-30-3) 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.
propan-2-yl thiocyanate
Also Known As: isopropyl thiocyanate, isopropylthiocyanate, propan-2-yl thiocyanate, Isopropylthiocyanat, 2-Thiocyanatopropane
| Molecular Formula | C4H7NS |
|---|---|
| Molecular Weight | 101.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 101.02992 |
| Heavy Atoms | 6 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 67120-30-3 |
|---|---|
| SMILES | CC(C)SC#N |
| InChIKey | CUABTFPYLQSPAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl thiocyanate (CAS 67120-30-3), with molecular formula C4H7NS and molecular weight 101.03 g/mol. IUPAC: propan-2-yl thiocyanate.
Chemical Property Profile of Isopropyl thiocyanate
Property Insights of Isopropyl thiocyanate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl thiocyanate. With a topological polar surface area (TPSA) of 49.1 Ų, Isopropyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl thiocyanate?
The CAS number of Isopropyl thiocyanate is 67120-30-3.
What is the molecular formula of Isopropyl thiocyanate?
The molecular formula of Isopropyl thiocyanate is C4H7NS.
What is the molecular weight of Isopropyl thiocyanate?
The molecular weight of Isopropyl thiocyanate is 101.03 g/mol.
Where can I buy Isopropyl thiocyanate?
You can request a quote for Isopropyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.