3-(Allylthio)propanol
TL;DR: 3-(Allylthio)propanol (CAS 151602-58-3) is a chemical compound with molecular formula C6H12OS and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enylsulfanylpropan-1-ol
Also Known As: 3-(allylthio)propanol, 3-(2-propenylthio)-1-propanol, 3-prop-2-enylsulfanylpropan-1-ol
| Molecular Formula | C6H12OS |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 1.288 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 132.06088 |
| Heavy Atoms | 8 |
| Complexity | 54.490227 |
Chemical Identifiers
| CAS Number | 151602-58-3 |
|---|---|
| SMILES | C=CCSCCCO |
Product Overview
3-(Allylthio)propanol (CAS 151602-58-3), with molecular formula C6H12OS and molecular weight 132.06 g/mol. IUPAC: 3-prop-2-enylsulfanylpropan-1-ol.
Chemical Property Profile of 3-(Allylthio)propanol
Property Insights of 3-(Allylthio)propanol
The XLogP value of 1.288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Allylthio)propanol. With a topological polar surface area (TPSA) of 20.23 Ų, 3-(Allylthio)propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Allylthio)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 3-(Allylthio)propanol?
The CAS number of 3-(Allylthio)propanol is 151602-58-3.
What is the molecular formula of 3-(Allylthio)propanol?
The molecular formula of 3-(Allylthio)propanol is C6H12OS.
What is the molecular weight of 3-(Allylthio)propanol?
The molecular weight of 3-(Allylthio)propanol is 132.06 g/mol.
Where can I buy 3-(Allylthio)propanol?
You can request a quote for 3-(Allylthio)propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Allylthio)propanol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Allylthio)propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.