3-Methyl-1-phenylsulfanyl-butan-2-one
TL;DR: 3-Methyl-1-phenylsulfanyl-butan-2-one (CAS 71221-49-3) is a chemical compound with molecular formula C11H14OS and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-phenylsulfanylbutan-2-one
Also Known As: 3-methyl-1-(phenylsulfanyl)butan-2-one, 3-Methyl-1-phenylsulfanyl-butan-2-one, 3-methyl-1-phenylsulfanylbutan-2-one, 2-Butanone, 3-methyl-1-(phenylthio)-, 3-Methyl-1-(phenylthio)butan-2-one
| Molecular Formula | C11H14OS |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.07654 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 71221-49-3 |
|---|---|
| SMILES | CC(C)C(=O)CSC1=CC=CC=C1 |
| InChIKey | MZAUOCRPISRSTQ-UHFFFAOYSA-N |
Product Overview
3-Methyl-1-phenylsulfanyl-butan-2-one (CAS 71221-49-3), with molecular formula C11H14OS and molecular weight 194.08 g/mol. IUPAC: 3-methyl-1-phenylsulfanylbutan-2-one.
Chemical Property Profile of 3-Methyl-1-phenylsulfanyl-butan-2-one
Property Insights of 3-Methyl-1-phenylsulfanyl-butan-2-one
The XLogP value of 3.2 indicates that 3-Methyl-1-phenylsulfanyl-butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 3-Methyl-1-phenylsulfanyl-butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-phenylsulfanyl-butan-2-one has 0 hydrogen bond donor(s) and 2 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-Methyl-1-phenylsulfanyl-butan-2-one?
The CAS number of 3-Methyl-1-phenylsulfanyl-butan-2-one is 71221-49-3.
What is the molecular formula of 3-Methyl-1-phenylsulfanyl-butan-2-one?
The molecular formula of 3-Methyl-1-phenylsulfanyl-butan-2-one is C11H14OS.
What is the molecular weight of 3-Methyl-1-phenylsulfanyl-butan-2-one?
The molecular weight of 3-Methyl-1-phenylsulfanyl-butan-2-one is 194.08 g/mol.
Where can I buy 3-Methyl-1-phenylsulfanyl-butan-2-one?
You can request a quote for 3-Methyl-1-phenylsulfanyl-butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-phenylsulfanyl-butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-phenylsulfanyl-butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.