1-(2-Isothiocyanatoethyl)pyrrolidine
TL;DR: 1-(2-Isothiocyanatoethyl)pyrrolidine (CAS 165680-22-8) is a chemical compound with molecular formula C7H12N2S and molecular weight 156.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-isothiocyanatoethyl)pyrrolidine
Also Known As: 1-(2-isothiocyanatoethyl)pyrrolidine, 861-660-0, RefChem:422297
| Molecular Formula | C7H12N2S |
|---|---|
| Molecular Weight | 156.07 g/mol |
| LogP | 1.185 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.07211 |
| Heavy Atoms | 10 |
| Complexity | 134.54153 |
Chemical Identifiers
| CAS Number | 165680-22-8 |
|---|---|
| SMILES | C1CCN(C1)CCN=C=S |
Product Overview
1-(2-Isothiocyanatoethyl)pyrrolidine (CAS 165680-22-8), with molecular formula C7H12N2S and molecular weight 156.07 g/mol. IUPAC: 1-(2-isothiocyanatoethyl)pyrrolidine.
Chemical Property Profile of 1-(2-Isothiocyanatoethyl)pyrrolidine
Property Insights of 1-(2-Isothiocyanatoethyl)pyrrolidine
The XLogP value of 1.185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Isothiocyanatoethyl)pyrrolidine. With a topological polar surface area (TPSA) of 15.6 Ų, 1-(2-Isothiocyanatoethyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Isothiocyanatoethyl)pyrrolidine 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 1-(2-Isothiocyanatoethyl)pyrrolidine?
The CAS number of 1-(2-Isothiocyanatoethyl)pyrrolidine is 165680-22-8.
What is the molecular formula of 1-(2-Isothiocyanatoethyl)pyrrolidine?
The molecular formula of 1-(2-Isothiocyanatoethyl)pyrrolidine is C7H12N2S.
What is the molecular weight of 1-(2-Isothiocyanatoethyl)pyrrolidine?
The molecular weight of 1-(2-Isothiocyanatoethyl)pyrrolidine is 156.07 g/mol.
Where can I buy 1-(2-Isothiocyanatoethyl)pyrrolidine?
You can request a quote for 1-(2-Isothiocyanatoethyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Isothiocyanatoethyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Isothiocyanatoethyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.