1-萘异硫氰酸酯
TL;DR: 1-萘异硫氰酸酯 (CAS 551-06-4) is a chemical compound with molecular formula C11H7NS and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-萘异硫氰酸酯
1-isothiocyanatonaphthalene
Also Known As: 1-Naphthyl isothiocyanate, Kesscocide, 1-Naphthylisothiocyanate, ANIT, 1-ISOTHIOCYANATONAPHTHALENE
| Molecular Formula | C11H7NS |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.02992 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
| Melting Point | 57.8 °C |
| Density | 1.81 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 0.000132 [mmHg] |
Chemical Identifiers
| CAS Number | 551-06-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2N=C=S |
| InChIKey | JBDOSUUXMYMWQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-萘异硫氰酸酯 (CAS 551-06-4), with molecular formula C11H7NS and molecular weight 185.03 g/mol. IUPAC: 1-isothiocyanatonaphthalene.
Chemical Property Profile of 1-萘异硫氰酸酯
Property Insights of 1-萘异硫氰酸酯
The XLogP value of 4.3 indicates that 1-萘异硫氰酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 1-萘异硫氰酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-萘异硫氰酸酯 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 1-萘异硫氰酸酯?
The CAS number of 1-萘异硫氰酸酯 is 551-06-4.
What is the molecular formula of 1-萘异硫氰酸酯?
The molecular formula of 1-萘异硫氰酸酯 is C11H7NS.
What is the molecular weight of 1-萘异硫氰酸酯?
The molecular weight of 1-萘异硫氰酸酯 is 185.03 g/mol.
Where can I buy 1-萘异硫氰酸酯?
You can request a quote for 1-萘异硫氰酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-萘异硫氰酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1-萘异硫氰酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.