5-Methyl-2-iminothiolane
TL;DR: 5-Methyl-2-iminothiolane (CAS 131851-96-2) is a chemical compound with molecular formula CC1CCC(=N)S1.Cl and molecular weight 151.02225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methylthiolan-2-imine;hydrochloride
Also Known As: 5-Methyl-2-iminothiolane, 5-methylthiolan-2-imine, 5-methylthiolan-2-imine;hydrochloride, 5-methylthiolan-2-imine hydrochloride, 5,5-dimethylthiolan-2-imine,hydrochloride
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CC1CCC(=N)S1.Cl |
| Molecular Weight | 151.02225 g/mol |
| XLogP | 2.30097 |
| Topological Polar Surface Area (TPSA) | 49.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.02225 Da |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
| SMILES | CC1CCC(=N)S1.Cl |
| InChIKey | QCMLIGGIMJXZBB-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-2-iminothiolane
Property Insights of 5-Methyl-2-iminothiolane
The XLogP value of 2.30097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-iminothiolane. With a topological polar surface area (TPSA) of 49.2 Ų, 5-Methyl-2-iminothiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-iminothiolane has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Methyl-2-iminothiolane?
The CAS number of 5-Methyl-2-iminothiolane is 131851-96-2.
What is the molecular formula of 5-Methyl-2-iminothiolane?
The molecular formula of 5-Methyl-2-iminothiolane is CC1CCC(=N)S1.Cl.
What is the molecular weight of 5-Methyl-2-iminothiolane?
The molecular weight of 5-Methyl-2-iminothiolane is 151.02225 g/mol.
Where can I buy 5-Methyl-2-iminothiolane?
You can request a quote for 5-Methyl-2-iminothiolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-2-iminothiolane?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-2-iminothiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.