2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one
TL;DR: 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one (CAS 1023850-59-0) is a chemical compound with molecular formula C11H16N2OS and molecular weight 224.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-5-(2-methylpropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
Also Known As: 2-amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one, 2-amino-5-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one, 2-amino-5-(2-methylpropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one, 2-Amino-5,6-dihydro-5-(2-methylpropyl)-7(4H)-benzothiazolone, 2-amino-5-(2-methylpropyl)-5,6-dihydro-4H-benzothiazol-7-one
Technical Specifications
| Molecular Formula | C11H16N2OS |
| Molecular Weight | 224.09833 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.09833 Da |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
| SMILES | CC(C)CC1CC2=C(C(=O)C1)SC(=N2)N |
| InChIKey | GAUUPODYGAUQPH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one
Property Insights of 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one. Following Lipinski's Rule of Five, 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one has 1 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 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one?
The CAS number of 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one is 1023850-59-0.
What is the molecular formula of 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one?
The molecular formula of 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one is C11H16N2OS.
What is the molecular weight of 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one?
The molecular weight of 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one is 224.09833 g/mol.
Where can I buy 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one?
You can request a quote for 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one?
Yes, CoreyChem provides custom synthesis services for 2-Amino-5-(2-methylpropyl)-4,5,6-trihydrobenzothiazol-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.