Propyl propargyl sulfide
TL;DR: Propyl propargyl sulfide (CAS 77202-43-8) is a chemical compound with molecular formula C6H10S and molecular weight 114.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-ynylsulfanylpropane
Also Known As: 4-thia-1-heptyne, Propyl propargyl sulfide, Propylpropargyl sulfide, propylpropargyl sulphide, Propyl 2-propynyl sulfide
| Molecular Formula | C6H10S |
|---|---|
| Molecular Weight | 114.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.05032 |
| Heavy Atoms | 7 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 77202-43-8 |
|---|---|
| SMILES | CCCSCC#C |
| InChIKey | SQQQEZUUYNQZBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl propargyl sulfide (CAS 77202-43-8), with molecular formula C6H10S and molecular weight 114.05 g/mol. IUPAC: 1-prop-2-ynylsulfanylpropane.
Chemical Property Profile of Propyl propargyl sulfide
Property Insights of Propyl propargyl sulfide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl propargyl sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Propyl propargyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl propargyl sulfide?
The CAS number of Propyl propargyl sulfide is 77202-43-8.
What is the molecular formula of Propyl propargyl sulfide?
The molecular formula of Propyl propargyl sulfide is C6H10S.
What is the molecular weight of Propyl propargyl sulfide?
The molecular weight of Propyl propargyl sulfide is 114.05 g/mol.
Where can I buy Propyl propargyl sulfide?
You can request a quote for Propyl propargyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl propargyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Propyl propargyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.