1,3-Bis(methylthio)-2-propanol
TL;DR: 1,3-Bis(methylthio)-2-propanol (CAS 31805-83-1) is a chemical compound with molecular formula C5H12OS2 and molecular weight 152.03296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(methylsulfanyl)propan-2-ol
Also Known As: 1,3-Bis(methylthio)-2-propanol, 1,3-Bis(methylthio)propan-2-ol, 1,3-bis(methylsulfanyl)propan-2-ol, Nifuratel Impurity 15, C(O)(CSC)CSC
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12OS2 |
| Molecular Weight | 152.03296 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.03296 Da |
| Heavy Atoms | 8 |
| Complexity | 43.0 |
| SMILES | CSCC(CSC)O |
| InChIKey | BTQNSLFPJKRBQK-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Bis(methylthio)-2-propanol
Property Insights of 1,3-Bis(methylthio)-2-propanol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(methylthio)-2-propanol. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(methylthio)-2-propanol. Following Lipinski's Rule of Five, 1,3-Bis(methylthio)-2-propanol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Bis(methylthio)-2-propanol?
The CAS number of 1,3-Bis(methylthio)-2-propanol is 31805-83-1.
What is the molecular formula of 1,3-Bis(methylthio)-2-propanol?
The molecular formula of 1,3-Bis(methylthio)-2-propanol is C5H12OS2.
What is the molecular weight of 1,3-Bis(methylthio)-2-propanol?
The molecular weight of 1,3-Bis(methylthio)-2-propanol is 152.03296 g/mol.
Where can I buy 1,3-Bis(methylthio)-2-propanol?
You can request a quote for 1,3-Bis(methylthio)-2-propanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Bis(methylthio)-2-propanol?
Yes, CoreyChem provides custom synthesis services for 1,3-Bis(methylthio)-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.