1-(Methylthio)-1-propene
TL;DR: 1-(Methylthio)-1-propene (CAS 52195-40-1) is a chemical compound with molecular formula C4H8S and molecular weight 88.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanylprop-1-ene
Also Known As: methylthiopropene, 1-methylsulfanylprop-1-ene, 1-Propene, 1-(methylthio)-, Methyl 1-propenyl sulfide, 1-methylthio-1-propene
| Molecular Formula | C4H8S |
|---|---|
| Molecular Weight | 88.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.03467 |
| Heavy Atoms | 5 |
| Complexity | 30.0 |
Chemical Identifiers
| CAS Number | 52195-40-1 |
|---|---|
| SMILES | CC=CSC |
| InChIKey | YJOGCMRDEUBRJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Methylthio)-1-propene (CAS 52195-40-1), with molecular formula C4H8S and molecular weight 88.03 g/mol. IUPAC: 1-methylsulfanylprop-1-ene.
Chemical Property Profile of 1-(Methylthio)-1-propene
Property Insights of 1-(Methylthio)-1-propene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methylthio)-1-propene. With a topological polar surface area (TPSA) of 25.3 Ų, 1-(Methylthio)-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Methylthio)-1-propene 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 1-(Methylthio)-1-propene?
The CAS number of 1-(Methylthio)-1-propene is 52195-40-1.
What is the molecular formula of 1-(Methylthio)-1-propene?
The molecular formula of 1-(Methylthio)-1-propene is C4H8S.
What is the molecular weight of 1-(Methylthio)-1-propene?
The molecular weight of 1-(Methylthio)-1-propene is 88.03 g/mol.
Where can I buy 1-(Methylthio)-1-propene?
You can request a quote for 1-(Methylthio)-1-propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methylthio)-1-propene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylthio)-1-propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.