S-(3-oxobutyl) ethanethioate
TL;DR: S-(3-oxobutyl) ethanethioate (CAS 14001-60-6) is a chemical compound with molecular formula C6H10O2S and molecular weight 146.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(3-oxobutyl) ethanethioate
Also Known As: 4-(Acetylthio)butan-2-one, 4-acetylsulfanyl-2-butanone, s-(3-oxobutyl) ethanethioate, NCIOpen2_001817, Thioacetic acid S-(3-oxobutyl) ester
Technical Specifications
| Molecular Formula | C6H10O2S |
| Molecular Weight | 146.04015 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.04015 Da |
| Heavy Atoms | 9 |
| Complexity | 120.0 |
| SMILES | CC(=O)CCSC(=O)C |
| InChIKey | QWABDIAZCMRTBH-UHFFFAOYSA-N |
Chemical Property Profile of S-(3-oxobutyl) ethanethioate
Property Insights of S-(3-oxobutyl) ethanethioate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(3-oxobutyl) ethanethioate. With a topological polar surface area (TPSA) of 59.4 Ų, S-(3-oxobutyl) ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(3-oxobutyl) ethanethioate 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
What is the CAS number of S-(3-oxobutyl) ethanethioate?
The CAS number of S-(3-oxobutyl) ethanethioate is 14001-60-6.
What is the molecular formula of S-(3-oxobutyl) ethanethioate?
The molecular formula of S-(3-oxobutyl) ethanethioate is C6H10O2S.
What is the molecular weight of S-(3-oxobutyl) ethanethioate?
The molecular weight of S-(3-oxobutyl) ethanethioate is 146.04015 g/mol.
Where can I buy S-(3-oxobutyl) ethanethioate?
You can request a quote for S-(3-oxobutyl) ethanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(3-oxobutyl) ethanethioate?
Yes, CoreyChem provides custom synthesis services for S-(3-oxobutyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.