3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione
TL;DR: 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione (CAS 68229-68-5) is a chemical compound with molecular formula C13H9NO2S2 and molecular weight 275.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylsulfanyl-1,2-benzothiazole 1,1-dioxide
Also Known As: 3-phenylsulfanyl-1,2-benzothiazole 1,1-dioxide, 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione, RefChem:275838
| Molecular Formula | C13H9NO2S2 |
|---|---|
| Molecular Weight | 275.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.00748 |
| Heavy Atoms | 18 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 68229-68-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | ZOKLFYCOGFFNHJ-UHFFFAOYSA-N |
Product Overview
3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione (CAS 68229-68-5), with molecular formula C13H9NO2S2 and molecular weight 275.01 g/mol. IUPAC: 3-phenylsulfanyl-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Property Insights of 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione. Following Lipinski's Rule of Five, 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione has 0 hydrogen bond donor(s) and 4 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 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione?
The CAS number of 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione is 68229-68-5.
What is the molecular formula of 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione?
The molecular formula of 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione is C13H9NO2S2.
What is the molecular weight of 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione?
The molecular weight of 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione is 275.01 g/mol.
Where can I buy 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione?
You can request a quote for 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylsulfanyl)-1H-1lambda~6~,2-benzothiazole-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.