1-(Phenylthio)-2-propanol
TL;DR: 1-(Phenylthio)-2-propanol (CAS 937-56-4) is a chemical compound with molecular formula C9H12OS and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylsulfanylpropan-2-ol
Also Known As: 2-Propanol, 1-phenylthio-, 1-Phenylthio-2-propanol, 1- propane-2-ol, 1-(phenylthio)propan-2-ol, 1-(Phenylthio)-2-propanol
| Molecular Formula | C9H12OS |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.06088 |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 937-56-4 |
|---|---|
| SMILES | CC(CSC1=CC=CC=C1)O |
| InChIKey | LMWDPYSNDDVIAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Phenylthio)-2-propanol (CAS 937-56-4), with molecular formula C9H12OS and molecular weight 168.06 g/mol. IUPAC: 1-phenylsulfanylpropan-2-ol.
Chemical Property Profile of 1-(Phenylthio)-2-propanol
Property Insights of 1-(Phenylthio)-2-propanol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylthio)-2-propanol. With a topological polar surface area (TPSA) of 45.5 Ų, 1-(Phenylthio)-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenylthio)-2-propanol 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 1-(Phenylthio)-2-propanol?
The CAS number of 1-(Phenylthio)-2-propanol is 937-56-4.
What is the molecular formula of 1-(Phenylthio)-2-propanol?
The molecular formula of 1-(Phenylthio)-2-propanol is C9H12OS.
What is the molecular weight of 1-(Phenylthio)-2-propanol?
The molecular weight of 1-(Phenylthio)-2-propanol is 168.06 g/mol.
Where can I buy 1-(Phenylthio)-2-propanol?
You can request a quote for 1-(Phenylthio)-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylthio)-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylthio)-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.