2-Piperidinoethyl isothiocyanate
TL;DR: 2-Piperidinoethyl isothiocyanate (CAS 32813-24-4) is a chemical compound with molecular formula C8H14N2S and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-isothiocyanatoethyl)piperidine
Also Known As: 2-Piperidinoethyl isothiocyanate, 1-(2-isothiocyanatoethyl)piperidine, 2-(1-piperidinyl)ethyl isothiocyanate, 2-piperidylethanisothiocyanate, 2-Piperidinoethyl isothiocyanate,
| Molecular Formula | C8H14N2S |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.5751 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.08777 |
| Heavy Atoms | 11 |
| Complexity | 146.17105 |
Chemical Identifiers
| CAS Number | 32813-24-4 |
|---|---|
| SMILES | C1CCN(CC1)CCN=C=S |
Product Overview
2-Piperidinoethyl isothiocyanate (CAS 32813-24-4), with molecular formula C8H14N2S and molecular weight 170.09 g/mol. IUPAC: 1-(2-isothiocyanatoethyl)piperidine.
Chemical Property Profile of 2-Piperidinoethyl isothiocyanate
Property Insights of 2-Piperidinoethyl isothiocyanate
The XLogP value of 1.5751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Piperidinoethyl isothiocyanate. With a topological polar surface area (TPSA) of 15.6 Ų, 2-Piperidinoethyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Piperidinoethyl isothiocyanate has 0 hydrogen bond donor(s) and 3 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 2-Piperidinoethyl isothiocyanate?
The CAS number of 2-Piperidinoethyl isothiocyanate is 32813-24-4.
What is the molecular formula of 2-Piperidinoethyl isothiocyanate?
The molecular formula of 2-Piperidinoethyl isothiocyanate is C8H14N2S.
What is the molecular weight of 2-Piperidinoethyl isothiocyanate?
The molecular weight of 2-Piperidinoethyl isothiocyanate is 170.09 g/mol.
Where can I buy 2-Piperidinoethyl isothiocyanate?
You can request a quote for 2-Piperidinoethyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Piperidinoethyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Piperidinoethyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.