3-(Methylsulfanyl)prop-1-yne
TL;DR: 3-(Methylsulfanyl)prop-1-yne (CAS 26842-65-9) is a chemical compound with molecular formula C4H6S and molecular weight 86.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanylprop-1-yne
Also Known As: 3-(methylsulfanyl)prop-1-yne, 2-thia-4-pentyne, 3-methylsulfanylprop-1-yne, Methyl propargyl sulfide, methyl propargyl sulphide
| Molecular Formula | C4H6S |
|---|---|
| Molecular Weight | 86.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 86.01902 |
| Heavy Atoms | 5 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 26842-65-9 |
|---|---|
| SMILES | CSCC#C |
| InChIKey | YTXIGMLQHXRSEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylsulfanyl)prop-1-yne (CAS 26842-65-9), with molecular formula C4H6S and molecular weight 86.02 g/mol. IUPAC: 3-methylsulfanylprop-1-yne.
Chemical Property Profile of 3-(Methylsulfanyl)prop-1-yne
Property Insights of 3-(Methylsulfanyl)prop-1-yne
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylsulfanyl)prop-1-yne. With a topological polar surface area (TPSA) of 25.3 Ų, 3-(Methylsulfanyl)prop-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylsulfanyl)prop-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 3-(Methylsulfanyl)prop-1-yne?
The CAS number of 3-(Methylsulfanyl)prop-1-yne is 26842-65-9.
What is the molecular formula of 3-(Methylsulfanyl)prop-1-yne?
The molecular formula of 3-(Methylsulfanyl)prop-1-yne is C4H6S.
What is the molecular weight of 3-(Methylsulfanyl)prop-1-yne?
The molecular weight of 3-(Methylsulfanyl)prop-1-yne is 86.02 g/mol.
Where can I buy 3-(Methylsulfanyl)prop-1-yne?
You can request a quote for 3-(Methylsulfanyl)prop-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylsulfanyl)prop-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylsulfanyl)prop-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.