Phenyl propargyl sulfide
TL;DR: Phenyl propargyl sulfide (CAS 5651-88-7) is a chemical compound with molecular formula C9H8S and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynylsulfanylbenzene
Also Known As: Phenyl propargyl sulfide, Phenylpropargylsulfide, prop-2-ynylsulfanylbenzene, Phenyl2-propynylsulfide, prop-2-ynylthiobenzene
| Molecular Formula | C9H8S |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 2.4119 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.03467 |
| Heavy Atoms | 10 |
| Complexity | 220.23363 |
Chemical Identifiers
| CAS Number | 5651-88-7 |
|---|---|
| SMILES | C#CCSC1=CC=CC=C1 |
Product Overview
Phenyl propargyl sulfide (CAS 5651-88-7), with molecular formula C9H8S and molecular weight 148.03 g/mol. IUPAC: prop-2-ynylsulfanylbenzene.
Chemical Property Profile of Phenyl propargyl sulfide
Property Insights of Phenyl propargyl sulfide
The XLogP value of 2.4119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl propargyl sulfide. With a topological polar surface area (TPSA) of 0.0 Ų, Phenyl propargyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl propargyl sulfide has 0 hydrogen bond donor(s) and 1 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 Phenyl propargyl sulfide?
The CAS number of Phenyl propargyl sulfide is 5651-88-7.
What is the molecular formula of Phenyl propargyl sulfide?
The molecular formula of Phenyl propargyl sulfide is C9H8S.
What is the molecular weight of Phenyl propargyl sulfide?
The molecular weight of Phenyl propargyl sulfide is 148.03 g/mol.
Where can I buy Phenyl propargyl sulfide?
You can request a quote for Phenyl propargyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl propargyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Phenyl propargyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.