Cyclopentyl isothiocyanate
TL;DR: Cyclopentyl isothiocyanate (CAS 33522-74-6) is a chemical compound with molecular formula C6H9NS and molecular weight 127.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isothiocyanatocyclopentane
Also Known As: Cyclopentyl isothiocyanate, Isothiocyanatocyclopentane, Cyclopentane, isothiocyanato-, cyclopentanisothiocyanate, isothiocyanato-cyclopentane
| Molecular Formula | C6H9NS |
|---|---|
| Molecular Weight | 127.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.04557 |
| Heavy Atoms | 8 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 33522-74-6 |
|---|---|
| SMILES | C1CCC(C1)N=C=S |
| InChIKey | PJOODZCPFADLCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopentyl isothiocyanate (CAS 33522-74-6), with molecular formula C6H9NS and molecular weight 127.05 g/mol. IUPAC: isothiocyanatocyclopentane.
Chemical Property Profile of Cyclopentyl isothiocyanate
Property Insights of Cyclopentyl isothiocyanate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentyl isothiocyanate. With a topological polar surface area (TPSA) of 44.5 Ų, Cyclopentyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentyl isothiocyanate 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 Cyclopentyl isothiocyanate?
The CAS number of Cyclopentyl isothiocyanate is 33522-74-6.
What is the molecular formula of Cyclopentyl isothiocyanate?
The molecular formula of Cyclopentyl isothiocyanate is C6H9NS.
What is the molecular weight of Cyclopentyl isothiocyanate?
The molecular weight of Cyclopentyl isothiocyanate is 127.05 g/mol.
Where can I buy Cyclopentyl isothiocyanate?
You can request a quote for Cyclopentyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.