3-(Propylthio)propene
TL;DR: 3-(Propylthio)propene (CAS 27817-67-0) is a chemical compound with molecular formula C6H12S and molecular weight 116.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enylsulfanylpropane
Also Known As: Allyl propyl sulfide, 3-(Propylthio)propene, Allyl n-propyl sulfide, Propyl allyl sulfide, Allylpropylsulfid
| Molecular Formula | C6H12S |
|---|---|
| Molecular Weight | 116.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.06597 |
| Heavy Atoms | 7 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 27817-67-0 |
|---|---|
| SMILES | CCCSCC=C |
| InChIKey | JMLIYQJQKZYHDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Propylthio)propene (CAS 27817-67-0), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: 1-prop-2-enylsulfanylpropane.
Chemical Property Profile of 3-(Propylthio)propene
Property Insights of 3-(Propylthio)propene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Propylthio)propene. With a topological polar surface area (TPSA) of 25.3 Ų, 3-(Propylthio)propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Propylthio)propene 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 3-(Propylthio)propene?
The CAS number of 3-(Propylthio)propene is 27817-67-0.
What is the molecular formula of 3-(Propylthio)propene?
The molecular formula of 3-(Propylthio)propene is C6H12S.
What is the molecular weight of 3-(Propylthio)propene?
The molecular weight of 3-(Propylthio)propene is 116.07 g/mol.
Where can I buy 3-(Propylthio)propene?
You can request a quote for 3-(Propylthio)propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Propylthio)propene?
Yes, KEHONG BIO provides custom synthesis services for 3-(Propylthio)propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.