1-Bromo-4-isothiocyanatonaphthalene
TL;DR: 1-Bromo-4-isothiocyanatonaphthalene (CAS 7613-07-2) is a chemical compound with molecular formula C11H6BrNS and molecular weight 262.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-isothiocyanatonaphthalene
Also Known As: 1-bromo-4-isothiocyanatonaphthalene, 1-bromo-4-isothiocyanato-naphthalene, Isothiocyanic acid, 4-bromo-1-naphthyl ester
| Molecular Formula | C11H6BrNS |
|---|---|
| Molecular Weight | 262.94 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.94043 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 7613-07-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Br)N=C=S |
| InChIKey | BLDHNUAFBSGUBU-UHFFFAOYSA-N |
Product Overview
1-Bromo-4-isothiocyanatonaphthalene (CAS 7613-07-2), with molecular formula C11H6BrNS and molecular weight 262.94 g/mol. IUPAC: 1-bromo-4-isothiocyanatonaphthalene.
Chemical Property Profile of 1-Bromo-4-isothiocyanatonaphthalene
Property Insights of 1-Bromo-4-isothiocyanatonaphthalene
The XLogP value of 5.0 indicates that 1-Bromo-4-isothiocyanatonaphthalene 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-Bromo-4-isothiocyanatonaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-isothiocyanatonaphthalene 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-Bromo-4-isothiocyanatonaphthalene?
The CAS number of 1-Bromo-4-isothiocyanatonaphthalene is 7613-07-2.
What is the molecular formula of 1-Bromo-4-isothiocyanatonaphthalene?
The molecular formula of 1-Bromo-4-isothiocyanatonaphthalene is C11H6BrNS.
What is the molecular weight of 1-Bromo-4-isothiocyanatonaphthalene?
The molecular weight of 1-Bromo-4-isothiocyanatonaphthalene is 262.94 g/mol.
Where can I buy 1-Bromo-4-isothiocyanatonaphthalene?
You can request a quote for 1-Bromo-4-isothiocyanatonaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-isothiocyanatonaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-isothiocyanatonaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.