2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one
TL;DR: 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one (CAS 113030-24-3) is a chemical compound with molecular formula C7H8N2OS and molecular weight 168.03574 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-5,7-dihydro-4H-1,3-benzothiazol-6-one
Also Known As: 2-AMINO-4,5-DIHYDROBENZO[D]THIAZOL-6(7H)-ONE, Pramipexole Impurity 39, 2-amino-6-oxo-4,5,6,7-tetrahydrobenzothiazole, 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-one, 2-amino-4,7-dihydro-6(5H)-Benzothiazolone
Technical Specifications
| Molecular Formula | C7H8N2OS |
| Molecular Weight | 168.03574 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.03574 Da |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
| SMILES | C1CC2=C(CC1=O)SC(=N2)N |
| InChIKey | WIYDBHSVURZSJV-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one
Property Insights of 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one. Following Lipinski's Rule of Five, 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-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-4,5-dihydrobenzo(D)thiazol-6(7H)-one?
The CAS number of 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one is 113030-24-3.
What is the molecular formula of 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one?
The molecular formula of 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one is C7H8N2OS.
What is the molecular weight of 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one?
The molecular weight of 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one is 168.03574 g/mol.
Where can I buy 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one?
You can request a quote for 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one?
Yes, CoreyChem provides custom synthesis services for 2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.