2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one
TL;DR: 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one (CAS 1544-86-1) is a chemical compound with molecular formula C9H12N2OS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
Also Known As: 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one, 2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one, 4-(Difluoromethoxy)nitrobenzene, 2-amino-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one, 7(4H)-Benzothiazolone, 2-amino-5,6-dihydro-5,5-dimethyl-
| Molecular Formula | C9H12N2OS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.06703 |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 1544-86-1 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)N)C |
| InChIKey | KFWIDHVBJCCTNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one (CAS 1544-86-1), with molecular formula C9H12N2OS and molecular weight 196.07 g/mol. IUPAC: 2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
Chemical Property Profile of 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one
Property Insights of 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one. Following Lipinski's Rule of Five, 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-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
Frequently Asked Questions
What is the CAS number of 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one?
The CAS number of 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one is 1544-86-1.
What is the molecular formula of 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one?
The molecular formula of 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one is C9H12N2OS.
What is the molecular weight of 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one?
The molecular weight of 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one is 196.07 g/mol.
Where can I buy 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one?
You can request a quote for 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.