3-methyl-4-methylsulfanylphenol

C8H10OS — CID 18391

IUPAC3-methyl-4-methylsulfanylphenol
SMILESCSc1ccc(O)cc1C
InChIInChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3
InChIKeyVKALYYFVKBXHTF-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.42
Rot. Bonds1

About 3-methyl-4-methylsulfanylphenol

3-methyl-4-methylsulfanylphenol (PubChem CID 18391) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanylphenol.

Molecular Properties

Compound Name3-methyl-4-methylsulfanylphenol
PubChem CID18391
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name3-methyl-4-methylsulfanylphenol
SMILESCSc1ccc(O)cc1C
InChIInChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3
InChIKeyVKALYYFVKBXHTF-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fenthion
CID 3346
Mesulfenfos
CID 19577
Phenol, 3,5-dimethyl-4-(methylthio)-
CID 81853
4-(Methylthio)phenol
CID 14086
Mesurol phenol sulfone
CID 203615
Fenthion oxon
CID 23046
Phenol, 3,5-dimethyl-4-(methylsulfinyl)-
CID 3029900
((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile
CID 220928
Fenthion-ethyl
CID 74390
3-Methyl-4-(methylsulfonyl)phenol
CID 167048
6-Thiocyanato-thymol
CID 94837
m-Cresol, 6-(methylthio)-
CID 31892

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylsulfanylphenol?
The IUPAC name of 3-methyl-4-methylsulfanylphenol (CID 18391) is 3-methyl-4-methylsulfanylphenol.
What is the SMILES notation for 3-methyl-4-methylsulfanylphenol?
The canonical SMILES for 3-methyl-4-methylsulfanylphenol is CSc1ccc(O)cc1C.
What is the InChIKey of 3-methyl-4-methylsulfanylphenol?
The InChIKey is VKALYYFVKBXHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3.
What are the key properties of 3-methyl-4-methylsulfanylphenol?
3-methyl-4-methylsulfanylphenol has a molecular weight of 154.23 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanylphenol is sourced from PubChem (CID 18391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).