Isopropyl Methyl Sulfide
TL;DR: Isopropyl Methyl Sulfide (CAS 1551-21-9) is a chemical compound with molecular formula C4H10S and molecular weight 90.05032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfanylpropane
Also Known As: Isopropyl methyl sulfide, 2-methylsulfanylpropane, Methyl isopropyl sulfide, Propane, 2-(methylthio)-, 2-(Methylthio)propane
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H10S |
| Molecular Weight | 90.05032 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 90.05032 Da |
| Heavy Atoms | 5 |
| Complexity | 17.0 |
| Melting Point | -101.48 °C |
| Boiling Point | 82.00 to 83.00 °C. @ 0.00 mm Hg |
| SMILES | CC(C)SC |
| InChIKey | ROSSIHMZZJOVOU-UHFFFAOYSA-N |
Chemical Property Profile of Isopropyl Methyl Sulfide
Property Insights of Isopropyl Methyl Sulfide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl Methyl Sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Isopropyl Methyl Sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl Methyl 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
What is the CAS number of Isopropyl Methyl Sulfide?
The CAS number of Isopropyl Methyl Sulfide is 1551-21-9.
What is the molecular formula of Isopropyl Methyl Sulfide?
The molecular formula of Isopropyl Methyl Sulfide is C4H10S.
What is the molecular weight of Isopropyl Methyl Sulfide?
The molecular weight of Isopropyl Methyl Sulfide is 90.05032 g/mol.
Where can I buy Isopropyl Methyl Sulfide?
You can request a quote for Isopropyl Methyl Sulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopropyl Methyl Sulfide?
Yes, CoreyChem provides custom synthesis services for Isopropyl Methyl Sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.