2-Amino-5,6-dimethylbenzothiazole
TL;DR: 2-Amino-5,6-dimethylbenzothiazole (CAS 29927-08-0) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-1,3-benzothiazol-2-amine
Also Known As: 2-AMINO-5,6-DIMETHYLBENZOTHIAZOLE, 5,6-Dimethylbenzo[d]thiazol-2-amine, 5,6-Dimethyl-1,3-benzothiazol-2-amine, 5,6-dimethyl-2-benzothiazolamine, 5,6-Dimethyl-2-aminobenzothiazole
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
| Melting Point | 365 to 188.9 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 29927-08-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)SC(=N2)N |
| InChIKey | IODWHFFPQHUDAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-5,6-dimethylbenzothiazole (CAS 29927-08-0), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: 5,6-dimethyl-1,3-benzothiazol-2-amine.
Chemical Property Profile of 2-Amino-5,6-dimethylbenzothiazole
Property Insights of 2-Amino-5,6-dimethylbenzothiazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5,6-dimethylbenzothiazole. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5,6-dimethylbenzothiazole. Following Lipinski's Rule of Five, 2-Amino-5,6-dimethylbenzothiazole has 1 hydrogen bond donor(s) and 3 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-5,6-dimethylbenzothiazole?
The CAS number of 2-Amino-5,6-dimethylbenzothiazole is 29927-08-0.
What is the molecular formula of 2-Amino-5,6-dimethylbenzothiazole?
The molecular formula of 2-Amino-5,6-dimethylbenzothiazole is C9H10N2S.
What is the molecular weight of 2-Amino-5,6-dimethylbenzothiazole?
The molecular weight of 2-Amino-5,6-dimethylbenzothiazole is 178.06 g/mol.
Where can I buy 2-Amino-5,6-dimethylbenzothiazole?
You can request a quote for 2-Amino-5,6-dimethylbenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5,6-dimethylbenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5,6-dimethylbenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.