2-Naphthylisothiocyanate
TL;DR: 2-Naphthylisothiocyanate (CAS 1636-33-5) 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.
2-isothiocyanatonaphthalene
Also Known As: 2-Isothiocyanatonaphthalene, 2-Naphthylisothiocyanate, 2-Naphthyl isothiocyanate, Naphthalene, 2-isothiocyanato-, 2-Isocyanatonaphthalene
| 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 |
Chemical Identifiers
| CAS Number | 1636-33-5 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)N=C=S |
| InChIKey | RTMXPNYHPHIDHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Naphthylisothiocyanate (CAS 1636-33-5), with molecular formula C11H7NS and molecular weight 185.03 g/mol. IUPAC: 2-isothiocyanatonaphthalene.
Chemical Property Profile of 2-Naphthylisothiocyanate
Property Insights of 2-Naphthylisothiocyanate
The XLogP value of 4.3 indicates that 2-Naphthylisothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 2-Naphthylisothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Naphthylisothiocyanate 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 2-Naphthylisothiocyanate?
The CAS number of 2-Naphthylisothiocyanate is 1636-33-5.
What is the molecular formula of 2-Naphthylisothiocyanate?
The molecular formula of 2-Naphthylisothiocyanate is C11H7NS.
What is the molecular weight of 2-Naphthylisothiocyanate?
The molecular weight of 2-Naphthylisothiocyanate is 185.03 g/mol.
Where can I buy 2-Naphthylisothiocyanate?
You can request a quote for 2-Naphthylisothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthylisothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthylisothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.