![2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole structure](/static/products/812/81245-06-9.png)
2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole
TL;DR: 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole (CAS 81245-06-9) is a chemical compound with molecular formula C14H8N2O3S2 and molecular weight 316.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzoxazol-2-ylsulfanyl)-1,2-benzothiazole 1,1-dioxide
Also Known As: 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole, 3-(1,3-benzoxazol-2-ylsulfanyl)-1,2-benzothiazole 1,1-dioxid, 3-(1,3-benzoxazol-2-ylsulfanyl)-1,2-benzothiazole 1,1-dioxide, 3-(1,3-BENZOXAZOL-2-YLSULFANYL)-1??,2-BENZOTHIAZOLE-1,1-DIONE, 3-[(1,3-Benzoxazol-2-yl)sulfanyl]-1H-1lambda~6~,2-benzothiazole-1,1-dione
| Molecular Formula | C14H8N2O3S2 |
|---|---|
| Molecular Weight | 316.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.99762 |
| Heavy Atoms | 21 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 81245-06-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)SC3=NC4=CC=CC=C4O3 |
| InChIKey | YBKRSLIBNIADDB-UHFFFAOYSA-N |
Product Overview
2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole (CAS 81245-06-9), with molecular formula C14H8N2O3S2 and molecular weight 316.00 g/mol. IUPAC: 3-(1,3-benzoxazol-2-ylsulfanyl)-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole
Property Insights of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole
The XLogP value of 3.3 indicates that 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole. Following Lipinski's Rule of Five, 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole has 0 hydrogen bond donor(s) and 6 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-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole?
The CAS number of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole is 81245-06-9.
What is the molecular formula of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole?
The molecular formula of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole is C14H8N2O3S2.
What is the molecular weight of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole?
The molecular weight of 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole is 316.00 g/mol.
Where can I buy 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole?
You can request a quote for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,1-Dioxido-1,2-benzothiazol-3-yl)sulfanyl]-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.