![2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole structure](/static/products/3257/325703-52-4.webp)
2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole
TL;DR: 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole (CAS 325703-52-4) is a chemical compound with molecular formula C14H9N3O6S3 and molecular weight 410.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylsulfonyl-2,6-dinitrophenyl)sulfanyl-1,3-benzothiazole
Also Known As: ChemDiv1_009558, 2-((4-(methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole, 2-(4-methylsulfonyl-2,6-dinitrophenyl)sulfanyl-1,3-benzothiazole, 2-[(4-METHANESULFONYL-2,6-DINITROPHENYL)SULFANYL]-1,3-BENZOTHIAZOLE, F1472-0144
| Molecular Formula | C14H9N3O6S3 |
|---|---|
| Molecular Weight | 410.97 g/mol |
| LogP | 3.6674 |
| Topological Polar Surface Area | 133.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.96536 |
| Heavy Atoms | 26 |
| Complexity | 1087.6936 |
Chemical Identifiers
| CAS Number | 325703-52-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3S2)[N+](=O)[O-] |
Product Overview
2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole (CAS 325703-52-4), with molecular formula C14H9N3O6S3 and molecular weight 410.97 g/mol. IUPAC: 2-(4-methylsulfonyl-2,6-dinitrophenyl)sulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole
Property Insights of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole
The XLogP value of 3.6674 indicates that 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole. Following Lipinski's Rule of Five, 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole has 0 hydrogen bond donor(s) and 9 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-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole?
The CAS number of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole is 325703-52-4.
What is the molecular formula of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole?
The molecular formula of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole is C14H9N3O6S3.
What is the molecular weight of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole?
The molecular weight of 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole is 410.97 g/mol.
Where can I buy 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole?
You can request a quote for 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.