p-Vinylphenyl isothiocyanate
TL;DR: p-Vinylphenyl isothiocyanate (CAS 1520-20-3) is a chemical compound with molecular formula C9H7NS and molecular weight 161.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenyl-4-isothiocyanatobenzene
Also Known As: p-Vinylphenyl isothiocyanate, p-Vinylphenylisothiocyanate, 1-ethenyl-4-isothiocyanatobenzene, 4-vinylphenyl isothiocyanate, p-isothiocyanato-styrol
| Molecular Formula | C9H7NS |
|---|---|
| Molecular Weight | 161.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.02992 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 1520-20-3 |
|---|---|
| SMILES | C=CC1=CC=C(C=C1)N=C=S |
| InChIKey | VLYLPZIBVLBOLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Vinylphenyl isothiocyanate (CAS 1520-20-3), with molecular formula C9H7NS and molecular weight 161.03 g/mol. IUPAC: 1-ethenyl-4-isothiocyanatobenzene.
Chemical Property Profile of p-Vinylphenyl isothiocyanate
Property Insights of p-Vinylphenyl isothiocyanate
The XLogP value of 4.3 indicates that p-Vinylphenyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, p-Vinylphenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Vinylphenyl 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 p-Vinylphenyl isothiocyanate?
The CAS number of p-Vinylphenyl isothiocyanate is 1520-20-3.
What is the molecular formula of p-Vinylphenyl isothiocyanate?
The molecular formula of p-Vinylphenyl isothiocyanate is C9H7NS.
What is the molecular weight of p-Vinylphenyl isothiocyanate?
The molecular weight of p-Vinylphenyl isothiocyanate is 161.03 g/mol.
Where can I buy p-Vinylphenyl isothiocyanate?
You can request a quote for p-Vinylphenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Vinylphenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for p-Vinylphenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.