4-Methylthio-3-buten-1-yne
TL;DR: 4-Methylthio-3-buten-1-yne (CAS 3448-56-4) is a chemical compound with molecular formula C5H6S and molecular weight 98.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-methylsulfanylbut-1-en-3-yne
Also Known As: 4-Methylthio-3-buten-1-yne, But-1-en-3-ynyl methyl sulfide, Sulfide, 1-buten-3-ynyl methyl, 1-Buten-3-yne, 1-(methylthio)-, (E)-1-methylsulfanylbut-1-en-3-yne
| Molecular Formula | C5H6S |
|---|---|
| Molecular Weight | 98.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.01902 |
| Heavy Atoms | 6 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 3448-56-4 |
|---|---|
| SMILES | CS/C=C/C#C |
| InChIKey | NKMNGGDPEPZMPK-SNAWJCMRSA-N |
Product Overview
4-Methylthio-3-buten-1-yne (CAS 3448-56-4), with molecular formula C5H6S and molecular weight 98.02 g/mol. IUPAC: (E)-1-methylsulfanylbut-1-en-3-yne.
Chemical Property Profile of 4-Methylthio-3-buten-1-yne
Property Insights of 4-Methylthio-3-buten-1-yne
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylthio-3-buten-1-yne. With a topological polar surface area (TPSA) of 25.3 Ų, 4-Methylthio-3-buten-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylthio-3-buten-1-yne has 0 hydrogen bond donor(s) and 1 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 4-Methylthio-3-buten-1-yne?
The CAS number of 4-Methylthio-3-buten-1-yne is 3448-56-4.
What is the molecular formula of 4-Methylthio-3-buten-1-yne?
The molecular formula of 4-Methylthio-3-buten-1-yne is C5H6S.
What is the molecular weight of 4-Methylthio-3-buten-1-yne?
The molecular weight of 4-Methylthio-3-buten-1-yne is 98.02 g/mol.
Where can I buy 4-Methylthio-3-buten-1-yne?
You can request a quote for 4-Methylthio-3-buten-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylthio-3-buten-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylthio-3-buten-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.