2-methylsulfanylphenol;naphthalene

C17H16OS — CID 174459188

IUPAC2-methylsulfanylphenol;naphthalene
SMILESCSc1ccccc1O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C7H8OS/c1-2-6-10-8-4-3-7-9(10)5-1;1-9-7-5-3-2-4-6(7)8/h1-8H;2-5,8H,1H3
InChIKeyQKMKRSKQDFXNTG-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.95
Rot. Bonds1

About 2-methylsulfanylphenol;naphthalene

2-methylsulfanylphenol;naphthalene (PubChem CID 174459188) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-methylsulfanylphenol;naphthalene.

Molecular Properties

Compound Name2-methylsulfanylphenol;naphthalene
PubChem CID174459188
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name2-methylsulfanylphenol;naphthalene
SMILESCSc1ccccc1O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C7H8OS/c1-2-6-10-8-4-3-7-9(10)5-1;1-9-7-5-3-2-4-6(7)8/h1-8H;2-5,8H,1H3
InChIKeyQKMKRSKQDFXNTG-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylphenol;naphthalene?
The IUPAC name of 2-methylsulfanylphenol;naphthalene (CID 174459188) is 2-methylsulfanylphenol;naphthalene.
What is the SMILES notation for 2-methylsulfanylphenol;naphthalene?
The canonical SMILES for 2-methylsulfanylphenol;naphthalene is CSc1ccccc1O.c1ccc2ccccc2c1.
What is the InChIKey of 2-methylsulfanylphenol;naphthalene?
The InChIKey is QKMKRSKQDFXNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C7H8OS/c1-2-6-10-8-4-3-7-9(10)5-1;1-9-7-5-3-2-4-6(7)8/h1-8H;2-5,8H,1H3.
What are the key properties of 2-methylsulfanylphenol;naphthalene?
2-methylsulfanylphenol;naphthalene has a molecular weight of 268.38 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylphenol;naphthalene is sourced from PubChem (CID 174459188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).