2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone
TL;DR: 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone (CAS 337488-10-5) is a chemical compound with molecular formula C12H11NOS2 and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-cyclopropylethanone
Also Known As: CHEMBRDG-BB5925927, 2-(1,3-BENZOTHIAZOL-2-YLTHIO)-1-CYCLOPROPYLETHANONE, CHEMBRDG-BB 5925927, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-cyclopropylethanone, BAS 01290595
| Molecular Formula | C12H11NOS2 |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.02821 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 337488-10-5 |
|---|---|
| SMILES | C1CC1C(=O)CSC2=NC3=CC=CC=C3S2 |
| InChIKey | REJPVPZBYINWPC-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone (CAS 337488-10-5), with molecular formula C12H11NOS2 and molecular weight 249.03 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-cyclopropylethanone.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone
Property Insights of 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone
The XLogP value of 3.3 indicates that 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone 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 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone?
The CAS number of 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone is 337488-10-5.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone?
The molecular formula of 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone is C12H11NOS2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone?
The molecular weight of 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone is 249.03 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone?
You can request a quote for 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.