2-Propyn-1-ol, 1-benzenesulfonate
TL;DR: 2-Propyn-1-ol, 1-benzenesulfonate (CAS 6165-75-9) is a chemical compound with molecular formula C9H8O3S and molecular weight 196.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl benzenesulfonate
Also Known As: Propargyl benzenesulfonate, Prop-2-yn-1-yl benzenesulfonate, prop-2-ynyl benzenesulfonate, Propargylbenzenesulfonate, 2-Propyn-1-ol, 1-benzenesulfonate
| Molecular Formula | C9H8O3S |
|---|---|
| Molecular Weight | 196.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.01941 |
| Heavy Atoms | 13 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 6165-75-9 |
|---|---|
| SMILES | C#CCOS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | RAGBYXLIHQFIPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propyn-1-ol, 1-benzenesulfonate (CAS 6165-75-9), with molecular formula C9H8O3S and molecular weight 196.02 g/mol. IUPAC: prop-2-ynyl benzenesulfonate.
Chemical Property Profile of 2-Propyn-1-ol, 1-benzenesulfonate
Property Insights of 2-Propyn-1-ol, 1-benzenesulfonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propyn-1-ol, 1-benzenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Propyn-1-ol, 1-benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propyn-1-ol, 1-benzenesulfonate has 0 hydrogen bond donor(s) and 3 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-Propyn-1-ol, 1-benzenesulfonate?
The CAS number of 2-Propyn-1-ol, 1-benzenesulfonate is 6165-75-9.
What is the molecular formula of 2-Propyn-1-ol, 1-benzenesulfonate?
The molecular formula of 2-Propyn-1-ol, 1-benzenesulfonate is C9H8O3S.
What is the molecular weight of 2-Propyn-1-ol, 1-benzenesulfonate?
The molecular weight of 2-Propyn-1-ol, 1-benzenesulfonate is 196.02 g/mol.
Where can I buy 2-Propyn-1-ol, 1-benzenesulfonate?
You can request a quote for 2-Propyn-1-ol, 1-benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propyn-1-ol, 1-benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propyn-1-ol, 1-benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.