(2-methylsulfanylphenyl)methanol

C8H10OS — CID 3551404

IUPAC(2-methylsulfanylphenyl)methanol
SMILESCSc1ccccc1CO
InChIInChI=1S/C8H10OS/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
InChIKeyCYHMKGIVLYBEFY-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.90
Rot. Bonds2

About (2-methylsulfanylphenyl)methanol

(2-methylsulfanylphenyl)methanol (PubChem CID 3551404) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)methanol
PubChem CID3551404
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name(2-methylsulfanylphenyl)methanol
SMILESCSc1ccccc1CO
InChIInChI=1S/C8H10OS/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
InChIKeyCYHMKGIVLYBEFY-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)methanol?
The IUPAC name of (2-methylsulfanylphenyl)methanol (CID 3551404) is (2-methylsulfanylphenyl)methanol.
What is the SMILES notation for (2-methylsulfanylphenyl)methanol?
The canonical SMILES for (2-methylsulfanylphenyl)methanol is CSc1ccccc1CO.
What is the InChIKey of (2-methylsulfanylphenyl)methanol?
The InChIKey is CYHMKGIVLYBEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3.
What are the key properties of (2-methylsulfanylphenyl)methanol?
(2-methylsulfanylphenyl)methanol has a molecular weight of 154.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)methanol is sourced from PubChem (CID 3551404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).