4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine
TL;DR: 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine (CAS 132064-28-9) 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.
4-(1,3-benzothiazol-2-yl)benzene-1,2-diamine
Also Known As: 4-(1,3-benzothiazol-2-yl)benzene-1,2-diamine, 2-amino-4-(1,3-benzothiazol-2-yl)phenylamine, 4-(Benzo[d]thiazol-2-yl)benzene-1,2-diamine, 1,2-Benzenediamine, 4-(2-benzothiazolyl)-, 4-(Benzothiazole-2-yl)benzene-1,2-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 | 273.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)N |
| InChIKey | ICSPQPFVCIHHSE-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine
Property Insights of 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine 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 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine?
The CAS number of 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine is 132064-28-9.
What is the molecular formula of 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine?
The molecular formula of 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine is C13H11N3S.
What is the molecular weight of 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine?
The molecular weight of 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine is 241.06737 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine?
You can request a quote for 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine?
Yes, CoreyChem provides custom synthesis services for 4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.