6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole
TL;DR: 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole (CAS 65611-88-3) is a chemical compound with molecular formula C10H6N2O2S2 and molecular weight 249.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-prop-2-ynylsulfanyl-1,3-benzothiazole
Also Known As: 6-nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole, BAS 00634364, 6-nitro-2-prop-2-ynylsulfanyl-1,3-benzothiazole, 6-nitro-2-prop-2-ynylthiobenzothiazole, 6-Nitro-2-prop-2-ynylsulfanyl-benzothiazole
| Molecular Formula | C10H6N2O2S2 |
|---|---|
| Molecular Weight | 249.99 g/mol |
| LogP | 2.9298 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.98708 |
| Heavy Atoms | 16 |
| Complexity | 586.00684 |
Chemical Identifiers
| CAS Number | 65611-88-3 |
|---|---|
| SMILES | C#CCSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
Product Overview
6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole (CAS 65611-88-3), with molecular formula C10H6N2O2S2 and molecular weight 249.99 g/mol. IUPAC: 6-nitro-2-prop-2-ynylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole
Property Insights of 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole
The XLogP value of 2.9298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole. With a topological polar surface area (TPSA) of 56.03 Ų, 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-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 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole?
The CAS number of 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole is 65611-88-3.
What is the molecular formula of 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole?
The molecular formula of 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole is C10H6N2O2S2.
What is the molecular weight of 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole?
The molecular weight of 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole is 249.99 g/mol.
Where can I buy 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole?
You can request a quote for 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-2-(prop-2-yn-1-ylsulfanyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.