1,1-Bis(ethylsulfanyl)propan-2-one
TL;DR: 1,1-Bis(ethylsulfanyl)propan-2-one (CAS 98429-19-7) is a chemical compound with molecular formula C7H14OS2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(ethylsulfanyl)propan-2-one
Also Known As: NCIOpen2_001993, 1,1-Bis(ethylthio)acetone, 1,1-bis(ethylsulfanyl)propan-2-one, 1,1-bis(ethylthio)propan-2-one, 1,1-Bis(ethylthio)-2-propanone
| Molecular Formula | C7H14OS2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 2.4077 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.04861 |
| Heavy Atoms | 10 |
| Complexity | 97.77923 |
Chemical Identifiers
| CAS Number | 98429-19-7 |
|---|---|
| SMILES | CCSC(C(=O)C)SCC |
Product Overview
1,1-Bis(ethylsulfanyl)propan-2-one (CAS 98429-19-7), with molecular formula C7H14OS2 and molecular weight 178.05 g/mol. IUPAC: 1,1-bis(ethylsulfanyl)propan-2-one.
Chemical Property Profile of 1,1-Bis(ethylsulfanyl)propan-2-one
Property Insights of 1,1-Bis(ethylsulfanyl)propan-2-one
The XLogP value of 2.4077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Bis(ethylsulfanyl)propan-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, 1,1-Bis(ethylsulfanyl)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis(ethylsulfanyl)propan-2-one 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 1,1-Bis(ethylsulfanyl)propan-2-one?
The CAS number of 1,1-Bis(ethylsulfanyl)propan-2-one is 98429-19-7.
What is the molecular formula of 1,1-Bis(ethylsulfanyl)propan-2-one?
The molecular formula of 1,1-Bis(ethylsulfanyl)propan-2-one is C7H14OS2.
What is the molecular weight of 1,1-Bis(ethylsulfanyl)propan-2-one?
The molecular weight of 1,1-Bis(ethylsulfanyl)propan-2-one is 178.05 g/mol.
Where can I buy 1,1-Bis(ethylsulfanyl)propan-2-one?
You can request a quote for 1,1-Bis(ethylsulfanyl)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(ethylsulfanyl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(ethylsulfanyl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.