Isothiocyanic acid, 4-chloro-1-naphthyl ester
TL;DR: Isothiocyanic acid, 4-chloro-1-naphthyl ester (CAS 101670-65-9) is a chemical compound with molecular formula C11H6ClNS and molecular weight 218.99095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4-isothiocyanatonaphthalene
Also Known As: 1-chloro-4-isothiocyanatonaphthalene, 4-Chloro-1-naphthylisothiocyanate, 4-chloro-1-naphthyl isothiocyanate, ISOTHIOCYANIC ACID, 4-CHLORO-1-NAPHTHYL ESTER, Naphthalene,1-chloro-4-isothiocyanato-
Technical Specifications
| Molecular Formula | C11H6ClNS |
| Molecular Weight | 218.99095 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.99095 Da |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Cl)N=C=S |
| InChIKey | KMDNKLRJLQTHPA-UHFFFAOYSA-N |
Chemical Property Profile of Isothiocyanic acid, 4-chloro-1-naphthyl ester
Property Insights of Isothiocyanic acid, 4-chloro-1-naphthyl ester
The XLogP value of 5.4 indicates that Isothiocyanic acid, 4-chloro-1-naphthyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, Isothiocyanic acid, 4-chloro-1-naphthyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiocyanic acid, 4-chloro-1-naphthyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isothiocyanic acid, 4-chloro-1-naphthyl ester?
The CAS number of Isothiocyanic acid, 4-chloro-1-naphthyl ester is 101670-65-9.
What is the molecular formula of Isothiocyanic acid, 4-chloro-1-naphthyl ester?
The molecular formula of Isothiocyanic acid, 4-chloro-1-naphthyl ester is C11H6ClNS.
What is the molecular weight of Isothiocyanic acid, 4-chloro-1-naphthyl ester?
The molecular weight of Isothiocyanic acid, 4-chloro-1-naphthyl ester is 218.99095 g/mol.
Where can I buy Isothiocyanic acid, 4-chloro-1-naphthyl ester?
You can request a quote for Isothiocyanic acid, 4-chloro-1-naphthyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isothiocyanic acid, 4-chloro-1-naphthyl ester?
Yes, CoreyChem provides custom synthesis services for Isothiocyanic acid, 4-chloro-1-naphthyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.