Phenol, 2-methylthioacetyl-
TL;DR: Phenol, 2-methylthioacetyl- (CAS 56986-82-4) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyphenyl)-2-methylsulfanylethanone
Also Known As: Neticonazole impurity 11, Phenol, 2-methylthioacetyl-, 1-(2-hydroxyphenyl)-2-(methylthio)ethanone, 1-(2-hydroxyphenyl)-2-methylsulfanylethanone, 2 -Hydroxy-alpha-(methylthio)acetophenone
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 56986-82-4 |
|---|---|
| SMILES | CSCC(=O)C1=CC=CC=C1O |
| InChIKey | RGEVCWPKBQTLQE-UHFFFAOYSA-N |
Product Overview
Phenol, 2-methylthioacetyl- (CAS 56986-82-4), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 1-(2-hydroxyphenyl)-2-methylsulfanylethanone.
Chemical Property Profile of Phenol, 2-methylthioacetyl-
Property Insights of Phenol, 2-methylthioacetyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-methylthioacetyl-. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2-methylthioacetyl-. Following Lipinski's Rule of Five, Phenol, 2-methylthioacetyl- 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 Phenol, 2-methylthioacetyl-?
The CAS number of Phenol, 2-methylthioacetyl- is 56986-82-4.
What is the molecular formula of Phenol, 2-methylthioacetyl-?
The molecular formula of Phenol, 2-methylthioacetyl- is C9H10O2S.
What is the molecular weight of Phenol, 2-methylthioacetyl-?
The molecular weight of Phenol, 2-methylthioacetyl- is 182.04 g/mol.
Where can I buy Phenol, 2-methylthioacetyl-?
You can request a quote for Phenol, 2-methylthioacetyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-methylthioacetyl-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-methylthioacetyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.