1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone
TL;DR: 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone (CAS 670261-50-4) is a chemical compound with molecular formula C13H13NOS2 and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone
Also Known As: 1-(3-benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone, 5-acetyl-4-methyl-3-benzyl-2-thioxo-1,3-thiazoline, 1-(3-benzyl-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone, 1-(3-benzyl-4-methyl-2-thioxo-2,3-dihydrothiazol-5-yl)ethanone, 1-(3-Benzyl-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)ethan-1-one
| Molecular Formula | C13H13NOS2 |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 3.83841 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.04385 |
| Heavy Atoms | 17 |
| Complexity | 595.6272 |
Chemical Identifiers
| CAS Number | 670261-50-4 |
|---|---|
| SMILES | CC1=C(SC(=S)N1CC2=CC=CC=C2)C(=O)C |
Product Overview
1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone (CAS 670261-50-4), with molecular formula C13H13NOS2 and molecular weight 263.04 g/mol. IUPAC: 1-(3-benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone.
Chemical Property Profile of 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone
Property Insights of 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone
The XLogP value of 3.83841 indicates that 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone has 0 hydrogen bond donor(s) and 3 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-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone?
The CAS number of 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone is 670261-50-4.
What is the molecular formula of 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone?
The molecular formula of 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone is C13H13NOS2.
What is the molecular weight of 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone?
The molecular weight of 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone is 263.04 g/mol.
Where can I buy 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone?
You can request a quote for 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.