7-Nitroso-1,3-benzothiazol-6-ol
TL;DR: 7-Nitroso-1,3-benzothiazol-6-ol (CAS 80486-65-3) is a chemical compound with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitroso-1,3-benzothiazol-6-ol
Also Known As: 7-nitroso-1,3-benzothiazol-6-ol, 6-Benzothiazolol,7-nitroso-, 6,7-Benzothiazoledione- 7-oxime, 6-Benzothiazolol, 7-nitroso-, 6,7-Benzothiazoledione-7-oxime
| Molecular Formula | C7H4N2O2S |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.99934 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 80486-65-3 |
|---|---|
| SMILES | C1=CC(=C(C2=C1N=CS2)N=O)O |
| InChIKey | XAKFGRRJXKCVJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Nitroso-1,3-benzothiazol-6-ol (CAS 80486-65-3), with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol. IUPAC: 7-nitroso-1,3-benzothiazol-6-ol.
Chemical Property Profile of 7-Nitroso-1,3-benzothiazol-6-ol
Property Insights of 7-Nitroso-1,3-benzothiazol-6-ol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Nitroso-1,3-benzothiazol-6-ol. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Nitroso-1,3-benzothiazol-6-ol. Following Lipinski's Rule of Five, 7-Nitroso-1,3-benzothiazol-6-ol 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 7-Nitroso-1,3-benzothiazol-6-ol?
The CAS number of 7-Nitroso-1,3-benzothiazol-6-ol is 80486-65-3.
What is the molecular formula of 7-Nitroso-1,3-benzothiazol-6-ol?
The molecular formula of 7-Nitroso-1,3-benzothiazol-6-ol is C7H4N2O2S.
What is the molecular weight of 7-Nitroso-1,3-benzothiazol-6-ol?
The molecular weight of 7-Nitroso-1,3-benzothiazol-6-ol is 180.00 g/mol.
Where can I buy 7-Nitroso-1,3-benzothiazol-6-ol?
You can request a quote for 7-Nitroso-1,3-benzothiazol-6-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitroso-1,3-benzothiazol-6-ol?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitroso-1,3-benzothiazol-6-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.