2-Benzothiazolamine, 5,6-dimethyl-N-nitroso-
TL;DR: 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso- (CAS 502170-85-6) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)nitrous amide
Also Known As: 2-BENZOTHIAZOLAMINE, 5,6-DIMETHYL-N-NITROSO-, 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso- (9CI), N-(5,6-dimethyl-1,3-benzothiazol-2-yl)nitrous amide
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 502170-85-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)SC(=N2)NN=O |
| InChIKey | BVKBYHNSEMNNCC-UHFFFAOYSA-N |
Product Overview
2-Benzothiazolamine, 5,6-dimethyl-N-nitroso- (CAS 502170-85-6), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)nitrous amide.
Chemical Property Profile of 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso-
Property Insights of 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso-
The XLogP value of 3.1 indicates that 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso-. Following Lipinski's Rule of Five, 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso- 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 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso-?
The CAS number of 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso- is 502170-85-6.
What is the molecular formula of 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso-?
The molecular formula of 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso- is C9H9N3OS.
What is the molecular weight of 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso-?
The molecular weight of 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso- is 207.05 g/mol.
Where can I buy 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso-?
You can request a quote for 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolamine, 5,6-dimethyl-N-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.