2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione
TL;DR: 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione (CAS 60463-63-0) is a chemical compound with molecular formula C17H8ClNO2S2 and molecular weight 356.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione
Also Known As: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione, 2-(1,3-benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-di, 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-3-chloronaphthalene-1,4-dione
| Molecular Formula | C17H8ClNO2S2 |
|---|---|
| Molecular Weight | 356.97 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.9685 |
| Heavy Atoms | 23 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 60463-63-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)SC3=NC4=CC=CC=C4S3 |
| InChIKey | WJEAICBYVLRPDS-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione (CAS 60463-63-0), with molecular formula C17H8ClNO2S2 and molecular weight 356.97 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione
Property Insights of 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione
The XLogP value of 5.4 indicates that 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione?
The CAS number of 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione is 60463-63-0.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione?
The molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione is C17H8ClNO2S2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione?
The molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione is 356.97 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione?
You can request a quote for 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.