4-(3-Pyridyl)butyl isothiocyanate
TL;DR: 4-(3-Pyridyl)butyl isothiocyanate (CAS 133920-07-7) is a chemical compound with molecular formula C10H12N2S and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-isothiocyanatobutyl)pyridine
Also Known As: 3- pyridine, 3-(4-isothiocyanatobutyl)pyridine, 4-(3-Pyridyl)butyl isothiocyanate, Pyridine,3-(4-isothiocyanatobutyl)-, Pyridine,3-(4-isothiocyanatobutyl)
| Molecular Formula | C10H12N2S |
|---|---|
| Molecular Weight | 192.07 g/mol |
| LogP | 2.5071 |
| Topological Polar Surface Area | 25.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.07211 |
| Heavy Atoms | 13 |
| Complexity | 278.23602 |
Chemical Identifiers
| CAS Number | 133920-07-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)CCCCN=C=S |
Product Overview
4-(3-Pyridyl)butyl isothiocyanate (CAS 133920-07-7), with molecular formula C10H12N2S and molecular weight 192.07 g/mol. IUPAC: 3-(4-isothiocyanatobutyl)pyridine.
Chemical Property Profile of 4-(3-Pyridyl)butyl isothiocyanate
Property Insights of 4-(3-Pyridyl)butyl isothiocyanate
The XLogP value of 2.5071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Pyridyl)butyl isothiocyanate. With a topological polar surface area (TPSA) of 25.25 Ų, 4-(3-Pyridyl)butyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Pyridyl)butyl 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 4-(3-Pyridyl)butyl isothiocyanate?
The CAS number of 4-(3-Pyridyl)butyl isothiocyanate is 133920-07-7.
What is the molecular formula of 4-(3-Pyridyl)butyl isothiocyanate?
The molecular formula of 4-(3-Pyridyl)butyl isothiocyanate is C10H12N2S.
What is the molecular weight of 4-(3-Pyridyl)butyl isothiocyanate?
The molecular weight of 4-(3-Pyridyl)butyl isothiocyanate is 192.07 g/mol.
Where can I buy 4-(3-Pyridyl)butyl isothiocyanate?
You can request a quote for 4-(3-Pyridyl)butyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Pyridyl)butyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Pyridyl)butyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.