7-Isocyanato-3-methoxy-1,2-benzothiazole
TL;DR: 7-Isocyanato-3-methoxy-1,2-benzothiazole (CAS 104121-73-5) is a chemical compound with molecular formula C9H6N2O2S and molecular weight 206.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-isocyanato-3-methoxy-1,2-benzothiazole
Also Known As: 7-isocyanato-3-methoxy-1,2-benzothiazole, 1,2-Benzothiazole, 7-isocyanato-3-methoxy-, 1,2-Benzisothiazole,7-isocyanato-3-methoxy-, 1,2-Benzisothiazole, 7-isocyanato-3-methoxy-, 1,2-Benzisothiazole,7-isocyanato-3-methoxy
| Molecular Formula | C9H6N2O2S |
|---|---|
| Molecular Weight | 206.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.015 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 104121-73-5 |
|---|---|
| SMILES | COC1=NSC2=C1C=CC=C2N=C=O |
| InChIKey | HNCPHFZSQLTOSJ-UHFFFAOYSA-N |
Product Overview
7-Isocyanato-3-methoxy-1,2-benzothiazole (CAS 104121-73-5), with molecular formula C9H6N2O2S and molecular weight 206.01 g/mol. IUPAC: 7-isocyanato-3-methoxy-1,2-benzothiazole.
Chemical Property Profile of 7-Isocyanato-3-methoxy-1,2-benzothiazole
Property Insights of 7-Isocyanato-3-methoxy-1,2-benzothiazole
The XLogP value of 3.4 indicates that 7-Isocyanato-3-methoxy-1,2-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Isocyanato-3-methoxy-1,2-benzothiazole. Following Lipinski's Rule of Five, 7-Isocyanato-3-methoxy-1,2-benzothiazole has 0 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-Isocyanato-3-methoxy-1,2-benzothiazole?
The CAS number of 7-Isocyanato-3-methoxy-1,2-benzothiazole is 104121-73-5.
What is the molecular formula of 7-Isocyanato-3-methoxy-1,2-benzothiazole?
The molecular formula of 7-Isocyanato-3-methoxy-1,2-benzothiazole is C9H6N2O2S.
What is the molecular weight of 7-Isocyanato-3-methoxy-1,2-benzothiazole?
The molecular weight of 7-Isocyanato-3-methoxy-1,2-benzothiazole is 206.01 g/mol.
Where can I buy 7-Isocyanato-3-methoxy-1,2-benzothiazole?
You can request a quote for 7-Isocyanato-3-methoxy-1,2-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Isocyanato-3-methoxy-1,2-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 7-Isocyanato-3-methoxy-1,2-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.