![Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- structure](/static/products/1758/17586-89-9.webp)
Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-
TL;DR: Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- (CAS 17586-89-9) is a chemical compound with molecular formula C13H7N3O4S2 and molecular weight 332.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazole
Also Known As: 2-(2,4-Dinitrophenylthio)benzothiazole, 2-[(2,4-Dinitrophenyl)thio]-benzothiazole, N-(4-Aminobenzoyl)glutamic acid, Benzothiazol-2-yl 2,4-dinitrophenyl sulphide, 2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazole
| Molecular Formula | C13H7N3O4S2 |
|---|---|
| Molecular Weight | 332.99 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.9878 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 17586-89-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RCPUUVXIUIWMEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- (CAS 17586-89-9), with molecular formula C13H7N3O4S2 and molecular weight 332.99 g/mol. IUPAC: 2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-
Property Insights of Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-
The XLogP value of 4.4 indicates that Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- has 0 hydrogen bond donor(s) and 7 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 Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-?
The CAS number of Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- is 17586-89-9.
What is the molecular formula of Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-?
The molecular formula of Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- is C13H7N3O4S2.
What is the molecular weight of Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-?
The molecular weight of Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- is 332.99 g/mol.
Where can I buy Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-?
You can request a quote for Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.