3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide
TL;DR: 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide (CAS 5244-47-3) is a chemical compound with molecular formula C10H7NO2S2 and molecular weight 236.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide
Also Known As: 3-prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide, 3-[(Prop-2-yn-1-yl)sulfanyl]-1H-1lambda~6~,2-benzothiazole-1,1-dione
| Molecular Formula | C10H7NO2S2 |
|---|---|
| Molecular Weight | 236.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.99182 |
| Heavy Atoms | 15 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 5244-47-3 |
|---|---|
| SMILES | C#CCSC1=NS(=O)(=O)C2=CC=CC=C21 |
| InChIKey | NEKQIVPCQYRZNN-UHFFFAOYSA-N |
Product Overview
3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide (CAS 5244-47-3), with molecular formula C10H7NO2S2 and molecular weight 236.99 g/mol. IUPAC: 3-prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide
Property Insights of 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide. Following Lipinski's Rule of Five, 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide 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-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide?
The CAS number of 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide is 5244-47-3.
What is the molecular formula of 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide?
The molecular formula of 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide is C10H7NO2S2.
What is the molecular weight of 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide?
The molecular weight of 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide is 236.99 g/mol.
Where can I buy 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide?
You can request a quote for 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Prop-2-ynylsulfanyl-1,2-benzothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.