3,5-dimethyl-4-methylsulfinylphenol

C9H12O2S — CID 3029900

IUPAC3,5-dimethyl-4-methylsulfinylphenol
SMILESCc1cc(O)cc(C)c1S(C)=O
InChIInChI=1S/C9H12O2S/c1-6-4-8(10)5-7(2)9(6)12(3)11/h4-5,10H,1-3H3
InChIKeyZHBBDQFXEDCQFI-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.75
Rot. Bonds1

About 3,5-dimethyl-4-methylsulfinylphenol

3,5-dimethyl-4-methylsulfinylphenol (PubChem CID 3029900) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 3,5-dimethyl-4-methylsulfinylphenol.

Molecular Properties

Compound Name3,5-dimethyl-4-methylsulfinylphenol
PubChem CID3029900
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name3,5-dimethyl-4-methylsulfinylphenol
SMILESCc1cc(O)cc(C)c1S(C)=O
InChIInChI=1S/C9H12O2S/c1-6-4-8(10)5-7(2)9(6)12(3)11/h4-5,10H,1-3H3
InChIKeyZHBBDQFXEDCQFI-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-methylsulfinylphenol?
The IUPAC name of 3,5-dimethyl-4-methylsulfinylphenol (CID 3029900) is 3,5-dimethyl-4-methylsulfinylphenol.
What is the SMILES notation for 3,5-dimethyl-4-methylsulfinylphenol?
The canonical SMILES for 3,5-dimethyl-4-methylsulfinylphenol is Cc1cc(O)cc(C)c1S(C)=O.
What is the InChIKey of 3,5-dimethyl-4-methylsulfinylphenol?
The InChIKey is ZHBBDQFXEDCQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-6-4-8(10)5-7(2)9(6)12(3)11/h4-5,10H,1-3H3.
What are the key properties of 3,5-dimethyl-4-methylsulfinylphenol?
3,5-dimethyl-4-methylsulfinylphenol has a molecular weight of 184.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-methylsulfinylphenol is sourced from PubChem (CID 3029900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).