Methylthiovinylacetylene
TL;DR: Methylthiovinylacetylene (CAS 19458-00-5) 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.
1-methylsulfanylbut-1-en-3-yne
Also Known As: methylthiovinylacetylene, 1-Buten-3-yne, 1-(methylthio)-, (Z)-
| 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 | 19458-00-5 |
|---|---|
| SMILES | CSC=CC#C |
| InChIKey | NKMNGGDPEPZMPK-UHFFFAOYSA-N |
Product Overview
Methylthiovinylacetylene (CAS 19458-00-5), with molecular formula C5H6S and molecular weight 98.02 g/mol. IUPAC: 1-methylsulfanylbut-1-en-3-yne.
Chemical Property Profile of Methylthiovinylacetylene
Property Insights of Methylthiovinylacetylene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylthiovinylacetylene. With a topological polar surface area (TPSA) of 25.3 Ų, Methylthiovinylacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylthiovinylacetylene 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 Methylthiovinylacetylene?
The CAS number of Methylthiovinylacetylene is 19458-00-5.
What is the molecular formula of Methylthiovinylacetylene?
The molecular formula of Methylthiovinylacetylene is C5H6S.
What is the molecular weight of Methylthiovinylacetylene?
The molecular weight of Methylthiovinylacetylene is 98.02 g/mol.
Where can I buy Methylthiovinylacetylene?
You can request a quote for Methylthiovinylacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylthiovinylacetylene?
Yes, KEHONG BIO provides custom synthesis services for Methylthiovinylacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.