Sulfide, butyl 2-propynyl
TL;DR: Sulfide, butyl 2-propynyl (CAS 17277-57-5) is a chemical compound with molecular formula C7H12S and molecular weight 128.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Sulfide, butyl 2-propynyl
1-prop-2-ynylsulfanylbutane
Also Known As: Butyl propargyl sulfide, 4-thia-1-octyne, 1-prop-2-ynylsulfanylbutane, Sulfide, butyl 2-propynyl, 1-(2-Propynylthio)butane
| Molecular Formula | C7H12S |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.06598 |
| Heavy Atoms | 8 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 17277-57-5 |
|---|---|
| SMILES | CCCCSCC#C |
| InChIKey | BPAWIQMMOKUBRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfide, butyl 2-propynyl (CAS 17277-57-5), with molecular formula C7H12S and molecular weight 128.07 g/mol. IUPAC: 1-prop-2-ynylsulfanylbutane.
Chemical Property Profile of Sulfide, butyl 2-propynyl
Property Insights of Sulfide, butyl 2-propynyl
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfide, butyl 2-propynyl. With a topological polar surface area (TPSA) of 25.3 Ų, Sulfide, butyl 2-propynyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁基2-丙炔基硫醚 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 丁基2-丙炔基硫醚?
The CAS number of 丁基2-丙炔基硫醚 is 17277-57-5.
What is the molecular formula of 丁基2-丙炔基硫醚?
The molecular formula of 丁基2-丙炔基硫醚 is C7H12S.
What is the molecular weight of 丁基2-丙炔基硫醚?
The molecular weight of 丁基2-丙炔基硫醚 is 128.07 g/mol.
Where can I buy 丁基2-丙炔基硫醚?
You can request a quote for 丁基2-丙炔基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基2-丙炔基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 丁基2-丙炔基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.