S-Propyl 3-oxobutanethioate
TL;DR: S-Propyl 3-oxobutanethioate (CAS 15780-61-7) is a chemical compound with molecular formula C7H12O2S and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propyl 3-oxobutanethioate
Also Known As: S-Propyl 3-oxobutanethioate, S-Propyl 3-oxobutanethioate #, Acetoacetic acid, 1-thio-, S-propyl ester, Butanethioic acid, 3-oxo-, S-propyl ester, 1-(propylsulfanyl)butane-1,3-dione
| Molecular Formula | C7H12O2S |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.0558 |
| Heavy Atoms | 10 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 15780-61-7 |
|---|---|
| SMILES | CCCSC(=O)CC(=O)C |
| InChIKey | QAPNPWKUMFCJPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Propyl 3-oxobutanethioate (CAS 15780-61-7), with molecular formula C7H12O2S and molecular weight 160.06 g/mol. IUPAC: S-propyl 3-oxobutanethioate.
Chemical Property Profile of S-Propyl 3-oxobutanethioate
Property Insights of S-Propyl 3-oxobutanethioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Propyl 3-oxobutanethioate. With a topological polar surface area (TPSA) of 59.4 Ų, S-Propyl 3-oxobutanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Propyl 3-oxobutanethioate 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 S-Propyl 3-oxobutanethioate?
The CAS number of S-Propyl 3-oxobutanethioate is 15780-61-7.
What is the molecular formula of S-Propyl 3-oxobutanethioate?
The molecular formula of S-Propyl 3-oxobutanethioate is C7H12O2S.
What is the molecular weight of S-Propyl 3-oxobutanethioate?
The molecular weight of S-Propyl 3-oxobutanethioate is 160.06 g/mol.
Where can I buy S-Propyl 3-oxobutanethioate?
You can request a quote for S-Propyl 3-oxobutanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Propyl 3-oxobutanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Propyl 3-oxobutanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.