Phenol, 2-(2-heptynylthio)-
TL;DR: Phenol, 2-(2-heptynylthio)- (CAS 210350-98-4) is a chemical compound with molecular formula C13H16OS and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hept-2-ynylsulfanylphenol
Also Known As: 2-hept-2-ynylsulfanylphenol, Phenol, 2-(2-heptynylthio)-, APHS-d3, hydroxyphenylheptynylsulfide, 2-hept-2-ynylsulfanyl-phenol
| Molecular Formula | C13H16OS |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.0922 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 210350-98-4 |
|---|---|
| SMILES | CCCCC#CCSC1=CC=CC=C1O |
| InChIKey | TYUMHLYBQBYJTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2-(2-heptynylthio)- (CAS 210350-98-4), with molecular formula C13H16OS and molecular weight 220.09 g/mol. IUPAC: 2-hept-2-ynylsulfanylphenol.
Chemical Property Profile of Phenol, 2-(2-heptynylthio)-
Property Insights of Phenol, 2-(2-heptynylthio)-
The XLogP value of 4.2 indicates that Phenol, 2-(2-heptynylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, Phenol, 2-(2-heptynylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-(2-heptynylthio)- 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 Phenol, 2-(2-heptynylthio)-?
The CAS number of Phenol, 2-(2-heptynylthio)- is 210350-98-4.
What is the molecular formula of Phenol, 2-(2-heptynylthio)-?
The molecular formula of Phenol, 2-(2-heptynylthio)- is C13H16OS.
What is the molecular weight of Phenol, 2-(2-heptynylthio)-?
The molecular weight of Phenol, 2-(2-heptynylthio)- is 220.09 g/mol.
Where can I buy Phenol, 2-(2-heptynylthio)-?
You can request a quote for Phenol, 2-(2-heptynylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-(2-heptynylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-(2-heptynylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.