Methyl 1-propenyl sulfide
TL;DR: Methyl 1-propenyl sulfide (CAS 42848-06-6) 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.
(E)-1-methylsulfanylprop-1-ene
Also Known As: Methyl 1-propenyl sulfide, methyl propenyl sulfide, 1-propene-1-methylthio, 1-Propene, 1-(methylthio)-, Methyl -1-propenylsulfide
| 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 | 42848-06-6 |
|---|---|
| SMILES | C/C=C/SC |
| InChIKey | YJOGCMRDEUBRJD-ONEGZZNKSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-propenyl sulfide (CAS 42848-06-6), with molecular formula C4H8S and molecular weight 88.03 g/mol. IUPAC: (E)-1-methylsulfanylprop-1-ene.
Chemical Property Profile of Methyl 1-propenyl sulfide
Property Insights of Methyl 1-propenyl sulfide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-propenyl sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Methyl 1-propenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-propenyl sulfide 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 Methyl 1-propenyl sulfide?
The CAS number of Methyl 1-propenyl sulfide is 42848-06-6.
What is the molecular formula of Methyl 1-propenyl sulfide?
The molecular formula of Methyl 1-propenyl sulfide is C4H8S.
What is the molecular weight of Methyl 1-propenyl sulfide?
The molecular weight of Methyl 1-propenyl sulfide is 88.03 g/mol.
Where can I buy Methyl 1-propenyl sulfide?
You can request a quote for Methyl 1-propenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-propenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-propenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.