2-Propanol, 1-(propylthio)-
TL;DR: 2-Propanol, 1-(propylthio)- (CAS 53957-22-5) is a chemical compound with molecular formula C6H14OS and molecular weight 134.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propylsulfanylpropan-2-ol
Also Known As: 1-(Propylthio)-2-propanol, 2-Propanol, 1-(propylthio)-, 1-(propylsulfanyl)propan-2-ol, 1-propylsulfanylpropan-2-ol, 1-(Propylsulfanyl)-2-propanol #
| Molecular Formula | C6H14OS |
|---|---|
| Molecular Weight | 134.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.07654 |
| Heavy Atoms | 8 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 53957-22-5 |
|---|---|
| SMILES | CCCSCC(C)O |
| InChIKey | FBZLAOXVHCKIBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propanol, 1-(propylthio)- (CAS 53957-22-5), with molecular formula C6H14OS and molecular weight 134.08 g/mol. IUPAC: 1-propylsulfanylpropan-2-ol.
Chemical Property Profile of 2-Propanol, 1-(propylthio)-
Property Insights of 2-Propanol, 1-(propylthio)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1-(propylthio)-. With a topological polar surface area (TPSA) of 45.5 Ų, 2-Propanol, 1-(propylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1-(propylthio)- has 1 hydrogen bond donor(s) and 2 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 2-Propanol, 1-(propylthio)-?
The CAS number of 2-Propanol, 1-(propylthio)- is 53957-22-5.
What is the molecular formula of 2-Propanol, 1-(propylthio)-?
The molecular formula of 2-Propanol, 1-(propylthio)- is C6H14OS.
What is the molecular weight of 2-Propanol, 1-(propylthio)-?
The molecular weight of 2-Propanol, 1-(propylthio)- is 134.08 g/mol.
Where can I buy 2-Propanol, 1-(propylthio)-?
You can request a quote for 2-Propanol, 1-(propylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1-(propylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1-(propylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.