2-methylsulfinyl-1-phenylethanol

C9H12O2S — CID 5259710

IUPAC2-methylsulfinyl-1-phenylethanol
SMILESCS(=O)CC(O)c1ccccc1
InChIInChI=1S/C9H12O2S/c1-12(11)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeyUXUPTVAMXKSGQI-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.10
Rot. Bonds3

About 2-methylsulfinyl-1-phenylethanol

2-methylsulfinyl-1-phenylethanol (PubChem CID 5259710) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methylsulfinyl-1-phenylethanol.

Molecular Properties

Compound Name2-methylsulfinyl-1-phenylethanol
PubChem CID5259710
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name2-methylsulfinyl-1-phenylethanol
SMILESCS(=O)CC(O)c1ccccc1
InChIInChI=1S/C9H12O2S/c1-12(11)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeyUXUPTVAMXKSGQI-UHFFFAOYSA-N
XLogP1.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-1-phenylethanol?
The IUPAC name of 2-methylsulfinyl-1-phenylethanol (CID 5259710) is 2-methylsulfinyl-1-phenylethanol.
What is the SMILES notation for 2-methylsulfinyl-1-phenylethanol?
The canonical SMILES for 2-methylsulfinyl-1-phenylethanol is CS(=O)CC(O)c1ccccc1.
What is the InChIKey of 2-methylsulfinyl-1-phenylethanol?
The InChIKey is UXUPTVAMXKSGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-12(11)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3.
What are the key properties of 2-methylsulfinyl-1-phenylethanol?
2-methylsulfinyl-1-phenylethanol has a molecular weight of 184.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-1-phenylethanol is sourced from PubChem (CID 5259710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).