3-(Butylsulfanyl)propyl acetate
TL;DR: 3-(Butylsulfanyl)propyl acetate (CAS 874-89-5) is a chemical compound with molecular formula C9H18O2S and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanylpropyl acetate
Also Known As: 3-(butylsulfanyl)propyl acetate, 3-butylthiopropyl acetate, NCIOpen2_000725, 3-butylsulfanylpropyl acetate, 3-butylsulfanylpropyl ethanoate
| Molecular Formula | C9H18O2S |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 190.10275 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 874-89-5 |
|---|---|
| SMILES | CCCCSCCCOC(=O)C |
| InChIKey | SVXGRPMOQRUSFN-UHFFFAOYSA-N |
Product Overview
3-(Butylsulfanyl)propyl acetate (CAS 874-89-5), with molecular formula C9H18O2S and molecular weight 190.10 g/mol. IUPAC: 3-butylsulfanylpropyl acetate.
Chemical Property Profile of 3-(Butylsulfanyl)propyl acetate
Property Insights of 3-(Butylsulfanyl)propyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Butylsulfanyl)propyl acetate. With a topological polar surface area (TPSA) of 51.6 Ų, 3-(Butylsulfanyl)propyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Butylsulfanyl)propyl acetate has 0 hydrogen bond donor(s) and 3 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-(Butylsulfanyl)propyl acetate?
The CAS number of 3-(Butylsulfanyl)propyl acetate is 874-89-5.
What is the molecular formula of 3-(Butylsulfanyl)propyl acetate?
The molecular formula of 3-(Butylsulfanyl)propyl acetate is C9H18O2S.
What is the molecular weight of 3-(Butylsulfanyl)propyl acetate?
The molecular weight of 3-(Butylsulfanyl)propyl acetate is 190.10 g/mol.
Where can I buy 3-(Butylsulfanyl)propyl acetate?
You can request a quote for 3-(Butylsulfanyl)propyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Butylsulfanyl)propyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Butylsulfanyl)propyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.