1,3-Benzenediamine, 5-(2-benzothiazolyl)-
TL;DR: 1,3-Benzenediamine, 5-(2-benzothiazolyl)- (CAS 164660-28-0) is a chemical compound with molecular formula C13H11N3S and molecular weight 241.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1,3-benzothiazol-2-yl)benzene-1,3-diamine
Also Known As: 1,3-Benzenediamine, 5-(2-benzothiazolyl)-, 2-(3,5-diaminophenyl)benzothiazole, 5-(1,3-benzothiazol-2-yl)benzene-1,3-diamine, 1,3-Benzenediamine,5-(2-benzothiazolyl), 5-(2-Benzothiazolyl)benzene-1,3-diamine
Technical Specifications
| Molecular Formula | C13H11N3S |
| Molecular Weight | 241.06737 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 93.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.06737 Da |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC(=C3)N)N |
| InChIKey | GJAGIYZCTMTZAO-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzenediamine, 5-(2-benzothiazolyl)-
Property Insights of 1,3-Benzenediamine, 5-(2-benzothiazolyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediamine, 5-(2-benzothiazolyl)-. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediamine, 5-(2-benzothiazolyl)-. Following Lipinski's Rule of Five, 1,3-Benzenediamine, 5-(2-benzothiazolyl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Benzenediamine, 5-(2-benzothiazolyl)-?
The CAS number of 1,3-Benzenediamine, 5-(2-benzothiazolyl)- is 164660-28-0.
What is the molecular formula of 1,3-Benzenediamine, 5-(2-benzothiazolyl)-?
The molecular formula of 1,3-Benzenediamine, 5-(2-benzothiazolyl)- is C13H11N3S.
What is the molecular weight of 1,3-Benzenediamine, 5-(2-benzothiazolyl)-?
The molecular weight of 1,3-Benzenediamine, 5-(2-benzothiazolyl)- is 241.06737 g/mol.
Where can I buy 1,3-Benzenediamine, 5-(2-benzothiazolyl)-?
You can request a quote for 1,3-Benzenediamine, 5-(2-benzothiazolyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzenediamine, 5-(2-benzothiazolyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzenediamine, 5-(2-benzothiazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.