3-(Methylthio)butanal
TL;DR: 3-(Methylthio)butanal (CAS 16630-52-7) is a chemical compound with molecular formula C5H10OS and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanylbutanal
Also Known As: 3-(Methylthio)butanal, 3-(Methylthio)butyraldehyde, Butanal, 3-(methylthio)-, 3-methylsulfanylbutanal, 3-(Methylsulfanyl)butanal
| Molecular Formula | C5H10OS |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.045235 |
| Heavy Atoms | 7 |
| Complexity | 54.0 |
| Boiling Point | 63.00 to 65.00 °C. @ 10.00 mm Hg |
| Density | 0.994-1.003 |
| Solubility | insoluble in water; soluble in alcohol |
| Refractive Index | 1.473-1.517 |
Chemical Identifiers
| CAS Number | 16630-52-7 |
|---|---|
| SMILES | CC(CC=O)SC |
| InChIKey | NCBDFIPMWRKPDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylthio)butanal (CAS 16630-52-7), with molecular formula C5H10OS and molecular weight 118.05 g/mol. IUPAC: 3-methylsulfanylbutanal.
Chemical Property Profile of 3-(Methylthio)butanal
Property Insights of 3-(Methylthio)butanal
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)butanal. With a topological polar surface area (TPSA) of 42.4 Ų, 3-(Methylthio)butanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylthio)butanal 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 3-(Methylthio)butanal?
The CAS number of 3-(Methylthio)butanal is 16630-52-7.
What is the molecular formula of 3-(Methylthio)butanal?
The molecular formula of 3-(Methylthio)butanal is C5H10OS.
What is the molecular weight of 3-(Methylthio)butanal?
The molecular weight of 3-(Methylthio)butanal is 118.05 g/mol.
Where can I buy 3-(Methylthio)butanal?
You can request a quote for 3-(Methylthio)butanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylthio)butanal?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.