4-methylsulfanylphenol

C7H8OS — CID 14086

IUPAC4-methylsulfanylphenol
SMILESCSc1ccc(O)cc1
InChIInChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKeyQASBCTGZKABPKX-UHFFFAOYSA-N
MW140.21 g/mol
LogP2.11
Rot. Bonds1

About 4-methylsulfanylphenol

4-methylsulfanylphenol (PubChem CID 14086) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is 4-methylsulfanylphenol.

Molecular Properties

Compound Name4-methylsulfanylphenol
PubChem CID14086
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name4-methylsulfanylphenol
SMILESCSc1ccc(O)cc1
InChIInChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKeyQASBCTGZKABPKX-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylphenol?
The IUPAC name of 4-methylsulfanylphenol (CID 14086) is 4-methylsulfanylphenol.
What is the SMILES notation for 4-methylsulfanylphenol?
The canonical SMILES for 4-methylsulfanylphenol is CSc1ccc(O)cc1.
What is the InChIKey of 4-methylsulfanylphenol?
The InChIKey is QASBCTGZKABPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3.
What are the key properties of 4-methylsulfanylphenol?
4-methylsulfanylphenol has a molecular weight of 140.21 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylphenol is sourced from PubChem (CID 14086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).