4-(Methylthio)phenethyl alcohol

• Catalog Number: ACMA00001593
• Category: Aryl
• Molecular Weight: 168.26
• Molecular Formula: C₆H₄Cl₃NO₂S
• Hazard Statements: H317-H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 4-(Methylthio)phenethyl alcohol?

The molecular formula is C9H12OS.

When was the structure of 4-(Methylthio)phenethyl alcohol created and last modified?

The structure was created on 2005-07-19 and last modified on 2023-11-25.

What is the IUPAC name of 4-(Methylthio)phenethyl alcohol?

The IUPAC name is 2-(4-methylsulfanylphenyl)ethanol.

What is the Canonical SMILES representation of 4-(Methylthio)phenethyl alcohol?

The Canonical SMILES representation is CSC1=CC=C(C=C1)CCO.

What is the molecular weight of 4-(Methylthio)phenethyl alcohol?

The molecular weight is 168.26 g/mol.

What is the InChIKey of 4-(Methylthio)phenethyl alcohol?

The InChIKey is XYFNPBXIECQOSZ-UHFFFAOYSA-N.

How many hydrogen bond donor count does 4-(Methylthio)phenethyl alcohol have?

It has 1 hydrogen bond donor count.

What is the XLogP3 value of 4-(Methylthio)phenethyl alcohol?

The XLogP3 value is 1.3.

What is the topological polar surface area of 4-(Methylthio)phenethyl alcohol?

The topological polar surface area is 45.5Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem.