2-Naphthalenecarbonyl isothiocyanate
TL;DR: 2-Naphthalenecarbonyl isothiocyanate (CAS 66090-35-5) is a chemical compound with molecular formula C12H7NOS and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalene-2-carbonyl isothiocyanate
Also Known As: 2-naphthoyl isothiocyanate, naphthalene-2-carbonyl isothiocyanate, 2-Naphthalenecarbonyl isothiocyanate, RefChem:264119
| Molecular Formula | C12H7NOS |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 3.0828 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.02484 |
| Heavy Atoms | 15 |
| Complexity | 570.59875 |
Chemical Identifiers
| CAS Number | 66090-35-5 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)N=C=S |
Product Overview
2-Naphthalenecarbonyl isothiocyanate (CAS 66090-35-5), with molecular formula C12H7NOS and molecular weight 213.02 g/mol. IUPAC: naphthalene-2-carbonyl isothiocyanate.
Chemical Property Profile of 2-Naphthalenecarbonyl isothiocyanate
Property Insights of 2-Naphthalenecarbonyl isothiocyanate
The XLogP value of 3.0828 indicates that 2-Naphthalenecarbonyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 2-Naphthalenecarbonyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Naphthalenecarbonyl 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 2-Naphthalenecarbonyl isothiocyanate?
The CAS number of 2-Naphthalenecarbonyl isothiocyanate is 66090-35-5.
What is the molecular formula of 2-Naphthalenecarbonyl isothiocyanate?
The molecular formula of 2-Naphthalenecarbonyl isothiocyanate is C12H7NOS.
What is the molecular weight of 2-Naphthalenecarbonyl isothiocyanate?
The molecular weight of 2-Naphthalenecarbonyl isothiocyanate is 213.02 g/mol.
Where can I buy 2-Naphthalenecarbonyl isothiocyanate?
You can request a quote for 2-Naphthalenecarbonyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthalenecarbonyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthalenecarbonyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.