3h-1,2,3-Benzodithiazole 2-oxide
TL;DR: 3h-1,2,3-Benzodithiazole 2-oxide (CAS 3292-55-5) is a chemical compound with molecular formula C6H5NOS2 and molecular weight 170.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-1,2λ4,3-benzodithiazole 2-oxide
Also Known As: 3h-1,2,3-benzodithiazole 2-oxide, 3H-1,2,3-Benzodithiazol-2-oxid, 3H-benzo[1,2,3]dithiazole 2-oxide, 3H-1,2, E4,3-benzodithiazole 2-oxide
| Molecular Formula | C6H5NOS2 |
|---|---|
| Molecular Weight | 170.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.98126 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 3292-55-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NS(=O)S2 |
| InChIKey | ZXKRHAKTQWHNEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3h-1,2,3-Benzodithiazole 2-oxide (CAS 3292-55-5), with molecular formula C6H5NOS2 and molecular weight 170.98 g/mol. IUPAC: 3H-1,2λ4,3-benzodithiazole 2-oxide.
Chemical Property Profile of 3h-1,2,3-Benzodithiazole 2-oxide
Property Insights of 3h-1,2,3-Benzodithiazole 2-oxide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3h-1,2,3-Benzodithiazole 2-oxide. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3h-1,2,3-Benzodithiazole 2-oxide. Following Lipinski's Rule of Five, 3h-1,2,3-Benzodithiazole 2-oxide has 1 hydrogen bond donor(s) and 3 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 3h-1,2,3-Benzodithiazole 2-oxide?
The CAS number of 3h-1,2,3-Benzodithiazole 2-oxide is 3292-55-5.
What is the molecular formula of 3h-1,2,3-Benzodithiazole 2-oxide?
The molecular formula of 3h-1,2,3-Benzodithiazole 2-oxide is C6H5NOS2.
What is the molecular weight of 3h-1,2,3-Benzodithiazole 2-oxide?
The molecular weight of 3h-1,2,3-Benzodithiazole 2-oxide is 170.98 g/mol.
Where can I buy 3h-1,2,3-Benzodithiazole 2-oxide?
You can request a quote for 3h-1,2,3-Benzodithiazole 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3h-1,2,3-Benzodithiazole 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3h-1,2,3-Benzodithiazole 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.