2-Benzothiazol-2-ylthionaphthalene-1,4-dione
TL;DR: 2-Benzothiazol-2-ylthionaphthalene-1,4-dione (CAS 5831-34-5) is a chemical compound with molecular formula C17H9NO2S2 and molecular weight 323.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)naphthalene-1,4-dione
Also Known As: 2-benzothiazol-2-ylthionaphthalene-1,4-dione, 2-benzothiazol-2-ylsulfanylnaphthalene-1,4-dione, 2-(benzo[d]thiazol-2-ylthio)naphthalene-1,4-dione, 2-(1,3-benzothiazol-2-ylsulfanyl)naphthalene-1,4-dione
| Molecular Formula | C17H9NO2S2 |
|---|---|
| Molecular Weight | 323.01 g/mol |
| LogP | 4.3515 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.00748 |
| Heavy Atoms | 22 |
| Complexity | 922.95715 |
Chemical Identifiers
| CAS Number | 5831-34-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)SC3=NC4=CC=CC=C4S3 |
Product Overview
2-Benzothiazol-2-ylthionaphthalene-1,4-dione (CAS 5831-34-5), with molecular formula C17H9NO2S2 and molecular weight 323.01 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)naphthalene-1,4-dione.
Chemical Property Profile of 2-Benzothiazol-2-ylthionaphthalene-1,4-dione
Property Insights of 2-Benzothiazol-2-ylthionaphthalene-1,4-dione
The XLogP value of 4.3515 indicates that 2-Benzothiazol-2-ylthionaphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.03 Ų, 2-Benzothiazol-2-ylthionaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzothiazol-2-ylthionaphthalene-1,4-dione has 0 hydrogen bond donor(s) and 5 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-Benzothiazol-2-ylthionaphthalene-1,4-dione?
The CAS number of 2-Benzothiazol-2-ylthionaphthalene-1,4-dione is 5831-34-5.
What is the molecular formula of 2-Benzothiazol-2-ylthionaphthalene-1,4-dione?
The molecular formula of 2-Benzothiazol-2-ylthionaphthalene-1,4-dione is C17H9NO2S2.
What is the molecular weight of 2-Benzothiazol-2-ylthionaphthalene-1,4-dione?
The molecular weight of 2-Benzothiazol-2-ylthionaphthalene-1,4-dione is 323.01 g/mol.
Where can I buy 2-Benzothiazol-2-ylthionaphthalene-1,4-dione?
You can request a quote for 2-Benzothiazol-2-ylthionaphthalene-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-Benzothiazol-2-ylthionaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazol-2-ylthionaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.