TL;DR: 4-(6-Methyl-7-sulfo-2-benzothiazolyl)benzenediazonium (CAS 750517-41-0) is a chemical compound with molecular formula C14H10N3O3S2+ and molecular weight 332.01636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)benzenediazonium
Also Known As: 4-(6-Methyl-7-sulfo-2-benzothiazolyl)benzenediazonium, 4-(6-methyl-7-sulfo-benzothiazol-2-yl)benzenediazonium, 4-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)benzenediazonium, 4-(6-Methyl-7-sulfo-1,3-benzothiazol-2-yl)benzene-1-diazonium
| Molecular Formula | C14H10N3O3S2+ |
| Molecular Weight | 332.01636 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.01636 Da |
| Heavy Atoms | 22 |
| Complexity | 560.0 |
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)[N+]#N)S(=O)(=O)O |
| InChIKey | LRPAEBZEYIROFM-UHFFFAOYSA-O |
The XLogP value of 3.8 indicates that 4-(6-Methyl-7-sulfo-2-benzothiazolyl)benzenediazonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-Methyl-7-sulfo-2-benzothiazolyl)benzenediazonium. Following Lipinski's Rule of Five, 4-(6-Methyl-7-sulfo-2-benzothiazolyl)benzenediazonium has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(6-Methyl-7-sulfo-2-benzothiazolyl)benzenediazonium is 750517-41-0.
The molecular formula of 4-(6-Methyl-7-sulfo-2-benzothiazolyl)benzenediazonium is C14H10N3O3S2+.
The molecular weight of 4-(6-Methyl-7-sulfo-2-benzothiazolyl)benzenediazonium is 332.01636 g/mol.
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