2-Propanol, 1,1,1-trifluoro-3-(phenylthio)-
TL;DR: 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)- (CAS 110929-54-9) is a chemical compound with molecular formula C9H9F3OS and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-phenylsulfanylpropan-2-ol
Also Known As: starbld0039553, 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)-, 1,1,1-trifluoro-3-phenylsulfanylpropan-2-ol, 1,1,1-Trifluoro-3-(phenylthio)propan-2-ol, 1,1,1-trifluoro-3-phenylsulfanyl-propan-2-ol
| Molecular Formula | C9H9F3OS |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.7019 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.03262 |
| Heavy Atoms | 14 |
| Complexity | 273.1356 |
Chemical Identifiers
| CAS Number | 110929-54-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC(C(F)(F)F)O |
Product Overview
2-Propanol, 1,1,1-trifluoro-3-(phenylthio)- (CAS 110929-54-9), with molecular formula C9H9F3OS and molecular weight 222.03 g/mol. IUPAC: 1,1,1-trifluoro-3-phenylsulfanylpropan-2-ol.
Chemical Property Profile of 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)-
Property Insights of 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)-
The XLogP value of 2.7019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)-. With a topological polar surface area (TPSA) of 20.23 Ų, 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)- 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, 1,1,1-trifluoro-3-(phenylthio)-?
The CAS number of 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)- is 110929-54-9.
What is the molecular formula of 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)-?
The molecular formula of 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)- is C9H9F3OS.
What is the molecular weight of 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)-?
The molecular weight of 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)- is 222.03 g/mol.
Where can I buy 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)-?
You can request a quote for 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1,1,1-trifluoro-3-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.