![1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one structure](/static/products/6643/664303-70-2.webp)
1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one
TL;DR: 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one (CAS 664303-70-2) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-hydroxy-3-(methylsulfanylmethyl)phenyl]ethanone
Also Known As: 1-{4-hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one, 1-(4-Hydroxy-3-((methylthio)methyl)phenyl)ethan-1-one, 1-[4-hydroxy-3-(methylsulfanylmethyl)phenyl]ethanone, Ethanone, 1-[4-hydroxy-3-[(methylthio)methyl]phenyl]-, 1-(4-HYDROXY-3-[(METHYLSULFANYL)METHYL]PHENYL)ETHAN-1-ONE
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.4578 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 320.70084 |
Chemical Identifiers
| CAS Number | 664303-70-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)O)CSC |
Product Overview
1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one (CAS 664303-70-2), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 1-[4-hydroxy-3-(methylsulfanylmethyl)phenyl]ethanone.
Chemical Property Profile of 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one
Property Insights of 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one
The XLogP value of 2.4578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one has 1 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-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one?
The CAS number of 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one is 664303-70-2.
What is the molecular formula of 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one?
The molecular formula of 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one is C10H12O2S.
What is the molecular weight of 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one?
The molecular weight of 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one is 196.06 g/mol.
Where can I buy 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one?
You can request a quote for 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-Hydroxy-3-[(methylsulfanyl)methyl]phenyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.