2-methyl-4-phenylsulfanylphenol

C13H12OS — CID 21329925

IUPAC2-methyl-4-phenylsulfanylphenol
SMILESCc1cc(Sc2ccccc2)ccc1O
InChIInChI=1S/C13H12OS/c1-10-9-12(7-8-13(10)14)15-11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyRYONMFMAWWIWLF-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.85
Rot. Bonds2

About 2-methyl-4-phenylsulfanylphenol

2-methyl-4-phenylsulfanylphenol (PubChem CID 21329925) has the molecular formula C13H12OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-methyl-4-phenylsulfanylphenol.

Molecular Properties

Compound Name2-methyl-4-phenylsulfanylphenol
PubChem CID21329925
Molecular FormulaC13H12OS
Molecular Weight216.31 g/mol
Exact Mass216.06
IUPAC Name2-methyl-4-phenylsulfanylphenol
SMILESCc1cc(Sc2ccccc2)ccc1O
InChIInChI=1S/C13H12OS/c1-10-9-12(7-8-13(10)14)15-11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyRYONMFMAWWIWLF-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylsulfanylphenol?
The IUPAC name of 2-methyl-4-phenylsulfanylphenol (CID 21329925) is 2-methyl-4-phenylsulfanylphenol.
What is the SMILES notation for 2-methyl-4-phenylsulfanylphenol?
The canonical SMILES for 2-methyl-4-phenylsulfanylphenol is Cc1cc(Sc2ccccc2)ccc1O.
What is the InChIKey of 2-methyl-4-phenylsulfanylphenol?
The InChIKey is RYONMFMAWWIWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS/c1-10-9-12(7-8-13(10)14)15-11-5-3-2-4-6-11/h2-9,14H,1H3.
What are the key properties of 2-methyl-4-phenylsulfanylphenol?
2-methyl-4-phenylsulfanylphenol has a molecular weight of 216.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylsulfanylphenol is sourced from PubChem (CID 21329925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).