3,5-dimethyl-2-methylsulfanylphenol

C9H12OS — CID 10877528

IUPAC3,5-dimethyl-2-methylsulfanylphenol
SMILESCSc1c(C)cc(C)cc1O
InChIInChI=1S/C9H12OS/c1-6-4-7(2)9(11-3)8(10)5-6/h4-5,10H,1-3H3
InChIKeyDGLPDVONIWDUPH-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.73
Rot. Bonds1

About 3,5-dimethyl-2-methylsulfanylphenol

3,5-dimethyl-2-methylsulfanylphenol (PubChem CID 10877528) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 3,5-dimethyl-2-methylsulfanylphenol.

Molecular Properties

Compound Name3,5-dimethyl-2-methylsulfanylphenol
PubChem CID10877528
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name3,5-dimethyl-2-methylsulfanylphenol
SMILESCSc1c(C)cc(C)cc1O
InChIInChI=1S/C9H12OS/c1-6-4-7(2)9(11-3)8(10)5-6/h4-5,10H,1-3H3
InChIKeyDGLPDVONIWDUPH-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-methylsulfanylphenol?
The IUPAC name of 3,5-dimethyl-2-methylsulfanylphenol (CID 10877528) is 3,5-dimethyl-2-methylsulfanylphenol.
What is the SMILES notation for 3,5-dimethyl-2-methylsulfanylphenol?
The canonical SMILES for 3,5-dimethyl-2-methylsulfanylphenol is CSc1c(C)cc(C)cc1O.
What is the InChIKey of 3,5-dimethyl-2-methylsulfanylphenol?
The InChIKey is DGLPDVONIWDUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-6-4-7(2)9(11-3)8(10)5-6/h4-5,10H,1-3H3.
What are the key properties of 3,5-dimethyl-2-methylsulfanylphenol?
3,5-dimethyl-2-methylsulfanylphenol has a molecular weight of 168.26 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-methylsulfanylphenol is sourced from PubChem (CID 10877528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).