2-methylsulfinylphenol

C7H8O2S — CID 588090

IUPAC2-methylsulfinylphenol
SMILESCS(=O)c1ccccc1O
InChIInChI=1S/C7H8O2S/c1-10(9)7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKeyVMTHIQRJDDCEQD-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.13
Rot. Bonds1

About 2-methylsulfinylphenol

2-methylsulfinylphenol (PubChem CID 588090) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-methylsulfinylphenol.

Molecular Properties

Compound Name2-methylsulfinylphenol
PubChem CID588090
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name2-methylsulfinylphenol
SMILESCS(=O)c1ccccc1O
InChIInChI=1S/C7H8O2S/c1-10(9)7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKeyVMTHIQRJDDCEQD-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methylsulfinylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenol, o-mercapto-(6CI,7CI,8CI)
CID 70718
o-(Methylthio)phenol
CID 61261
4-(Methylthio)phenol
CID 14086
2,4'-Dihydroxydiphenyl sulfone
CID 79381
4-(Methylsulfonyl)phenol
CID 123350
o-Phenolsulfonic acid
CID 11867
4-Trifluoromethanesulfonylphenol
CID 14857426
Phenol, 2,2'-thiobis-
CID 83665
2-(Phenylsulfonyl)-1,4-benzenediol
CID 640910
4-(Methylsulfinyl)phenol
CID 151936
4-(Benzenesulfonyl)phenol
CID 343804
Ammonium phenolsulfonate
CID 173839

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinylphenol?
The IUPAC name of 2-methylsulfinylphenol (CID 588090) is 2-methylsulfinylphenol.
What is the SMILES notation for 2-methylsulfinylphenol?
The canonical SMILES for 2-methylsulfinylphenol is CS(=O)c1ccccc1O.
What is the InChIKey of 2-methylsulfinylphenol?
The InChIKey is VMTHIQRJDDCEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-10(9)7-5-3-2-4-6(7)8/h2-5,8H,1H3.
What are the key properties of 2-methylsulfinylphenol?
2-methylsulfinylphenol has a molecular weight of 156.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinylphenol is sourced from PubChem (CID 588090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).