5-Methyl-6-nitro-benzothiazol-2-ylamine
TL;DR: 5-Methyl-6-nitro-benzothiazol-2-ylamine (CAS 797809-81-5) is a chemical compound with molecular formula C8H7N3O2S and molecular weight 209.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-nitro-1,3-benzothiazol-2-amine
Also Known As: 5-Methyl-6-nitro-benzothiazol-2-ylamine, 5-methyl-6-nitrobenzo[d]thiazol-2-amine, BAS 03422130, 2-BENZOTHIAZOLAMINE, 5-METHYL-6-NITRO-, 2-Benzothiazolamine, 5-methyl-6-nitro- (9CI)
| Molecular Formula | C8H7N3O2S |
|---|---|
| Molecular Weight | 209.03 g/mol |
| LogP | 2.09512 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.0259 |
| Heavy Atoms | 14 |
| Complexity | 520.5259 |
Chemical Identifiers
| CAS Number | 797809-81-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N |
Product Overview
5-Methyl-6-nitro-benzothiazol-2-ylamine (CAS 797809-81-5), with molecular formula C8H7N3O2S and molecular weight 209.03 g/mol. IUPAC: 5-methyl-6-nitro-1,3-benzothiazol-2-amine.
Chemical Property Profile of 5-Methyl-6-nitro-benzothiazol-2-ylamine
Property Insights of 5-Methyl-6-nitro-benzothiazol-2-ylamine
The XLogP value of 2.09512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-6-nitro-benzothiazol-2-ylamine. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-6-nitro-benzothiazol-2-ylamine. Following Lipinski's Rule of Five, 5-Methyl-6-nitro-benzothiazol-2-ylamine has 1 hydrogen bond donor(s) and 5 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 5-Methyl-6-nitro-benzothiazol-2-ylamine?
The CAS number of 5-Methyl-6-nitro-benzothiazol-2-ylamine is 797809-81-5.
What is the molecular formula of 5-Methyl-6-nitro-benzothiazol-2-ylamine?
The molecular formula of 5-Methyl-6-nitro-benzothiazol-2-ylamine is C8H7N3O2S.
What is the molecular weight of 5-Methyl-6-nitro-benzothiazol-2-ylamine?
The molecular weight of 5-Methyl-6-nitro-benzothiazol-2-ylamine is 209.03 g/mol.
Where can I buy 5-Methyl-6-nitro-benzothiazol-2-ylamine?
You can request a quote for 5-Methyl-6-nitro-benzothiazol-2-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-6-nitro-benzothiazol-2-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-6-nitro-benzothiazol-2-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.