Butanal, 3-(ethylthio)-
TL;DR: Butanal, 3-(ethylthio)- (CAS 32854-94-7) is a chemical compound with molecular formula C6H12OS and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanylbutanal
Also Known As: 3-(Ethylthio)butanal, Butanal, 3-(ethylthio)-, 3-ethylsulfanylbutanal, 3-(ethylsulfanyl)butanal, 3-(Ethylthio)butyraldehyde
| Molecular Formula | C6H12OS |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.06088 |
| Heavy Atoms | 8 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 32854-94-7 |
|---|---|
| SMILES | CCSC(C)CC=O |
| InChIKey | SIWPVNYSXLWJNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanal, 3-(ethylthio)- (CAS 32854-94-7), with molecular formula C6H12OS and molecular weight 132.06 g/mol. IUPAC: 3-ethylsulfanylbutanal.
Chemical Property Profile of Butanal, 3-(ethylthio)-
Property Insights of Butanal, 3-(ethylthio)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanal, 3-(ethylthio)-. With a topological polar surface area (TPSA) of 42.4 Ų, Butanal, 3-(ethylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanal, 3-(ethylthio)- has 0 hydrogen bond donor(s) and 2 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 Butanal, 3-(ethylthio)-?
The CAS number of Butanal, 3-(ethylthio)- is 32854-94-7.
What is the molecular formula of Butanal, 3-(ethylthio)-?
The molecular formula of Butanal, 3-(ethylthio)- is C6H12OS.
What is the molecular weight of Butanal, 3-(ethylthio)-?
The molecular weight of Butanal, 3-(ethylthio)- is 132.06 g/mol.
Where can I buy Butanal, 3-(ethylthio)-?
You can request a quote for Butanal, 3-(ethylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanal, 3-(ethylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Butanal, 3-(ethylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.