2-((Methylsulfanyl)methyl)but-2-enal
TL;DR: 2-((Methylsulfanyl)methyl)but-2-enal (CAS 40878-72-6) is a chemical compound with molecular formula C6H10OS and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylsulfanylmethyl)but-2-enal
Also Known As: 2-Ethylidene methional, FEMA No. 3601, 2-[(Methylthio)methyl]-2-butenal, 2-(methylsulfanylmethyl)but-2-enal, 2-(Methylthio)methyl-2-butenal
| Molecular Formula | C6H10OS |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.04524 |
| Heavy Atoms | 8 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 40878-72-6 |
|---|---|
| SMILES | CC=C(CSC)C=O |
| InChIKey | IBSLHWQWKUNIJE-UHFFFAOYSA-N |
Product Overview
2-((Methylsulfanyl)methyl)but-2-enal (CAS 40878-72-6), with molecular formula C6H10OS and molecular weight 130.05 g/mol. IUPAC: 2-(methylsulfanylmethyl)but-2-enal.
Chemical Property Profile of 2-((Methylsulfanyl)methyl)but-2-enal
Property Insights of 2-((Methylsulfanyl)methyl)but-2-enal
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Methylsulfanyl)methyl)but-2-enal. With a topological polar surface area (TPSA) of 42.4 Ų, 2-((Methylsulfanyl)methyl)but-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Methylsulfanyl)methyl)but-2-enal 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 2-((Methylsulfanyl)methyl)but-2-enal?
The CAS number of 2-((Methylsulfanyl)methyl)but-2-enal is 40878-72-6.
What is the molecular formula of 2-((Methylsulfanyl)methyl)but-2-enal?
The molecular formula of 2-((Methylsulfanyl)methyl)but-2-enal is C6H10OS.
What is the molecular weight of 2-((Methylsulfanyl)methyl)but-2-enal?
The molecular weight of 2-((Methylsulfanyl)methyl)but-2-enal is 130.05 g/mol.
Where can I buy 2-((Methylsulfanyl)methyl)but-2-enal?
You can request a quote for 2-((Methylsulfanyl)methyl)but-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Methylsulfanyl)methyl)but-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 2-((Methylsulfanyl)methyl)but-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.