![5-Isothiocyanatobicyclo[2.2.1]hept-2-ene structure](/static/products/928/92819-45-9.png)
5-Isothiocyanatobicyclo[2.2.1]hept-2-ene
TL;DR: 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene (CAS 92819-45-9) is a chemical compound with molecular formula C8H9NS and molecular weight 151.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-isothiocyanatobicyclo[2.2.1]hept-2-ene
Also Known As: 5-isothiocyanatobicyclo[2.2.1]hept-2-ene, 5-Isothiocyanato-bicyclo[2.2.1]hept-2-ene, bicyclo[2.2.1]hept-5-en-2-yl isothiocyanate, bicyclo[2.2.1]hept-5-en-2-ylisothiocyanate, BICYCLO[2.2.1]HEPT-5-EN-2-YL-ISOTHIOCYANATE
| Molecular Formula | C8H9NS |
|---|---|
| Molecular Weight | 151.05 g/mol |
| LogP | 2.0538 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.04558 |
| Heavy Atoms | 10 |
| Complexity | 215.29749 |
Chemical Identifiers
| CAS Number | 92819-45-9 |
|---|---|
| SMILES | C1C2CC(C1C=C2)N=C=S |
Product Overview
5-Isothiocyanatobicyclo[2.2.1]hept-2-ene (CAS 92819-45-9), with molecular formula C8H9NS and molecular weight 151.05 g/mol. IUPAC: 5-isothiocyanatobicyclo[2.2.1]hept-2-ene.
Chemical Property Profile of 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene
Property Insights of 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene
The XLogP value of 2.0538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene. With a topological polar surface area (TPSA) of 12.36 Ų, 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene 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 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene?
The CAS number of 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene is 92819-45-9.
What is the molecular formula of 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene?
The molecular formula of 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene is C8H9NS.
What is the molecular weight of 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene?
The molecular weight of 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene is 151.05 g/mol.
Where can I buy 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene?
You can request a quote for 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 5-Isothiocyanatobicyclo[2.2.1]hept-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.