![1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one structure](/static/products/6046/6046-25-9.webp)
1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one
TL;DR: 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one (CAS 6046-25-9) is a chemical compound with molecular formula C12H13NO2S2 and molecular weight 267.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one
Also Known As: 1-(6-ethoxybenzothiazol-2-ylthio)acetone, 1-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one, BAS 00729752, 1-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetone, BIM-0042180.P001
| Molecular Formula | C12H13NO2S2 |
|---|---|
| Molecular Weight | 267.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.03876 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 6046-25-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C |
| InChIKey | IMFIPTZFXQNPLE-UHFFFAOYSA-N |
Product Overview
1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one (CAS 6046-25-9), with molecular formula C12H13NO2S2 and molecular weight 267.04 g/mol. IUPAC: 1-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one.
Chemical Property Profile of 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one
Property Insights of 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one
The XLogP value of 3.7 indicates that 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one. Following Lipinski's Rule of Five, 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one 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 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one?
The CAS number of 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one is 6046-25-9.
What is the molecular formula of 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one?
The molecular formula of 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one is C12H13NO2S2.
What is the molecular weight of 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one?
The molecular weight of 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one is 267.04 g/mol.
Where can I buy 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one?
You can request a quote for 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.