4-(Ethylthio)benzyl alcohol

HCID 533638

Notes Reactions

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Basic information

Standard SMILES: CCSc1ccc(CO)cc1
InChIKey: YDBSCPRFIBRIKZ-UHFFFAOYSA-N
Molecular formula: C9H12OS
Average molar mass: 168.26 g/mol

Names & identifiers

Preferred name: 4-(Ethylthio)benzyl alcohol
IUPAC: (4-ethylsulfanylphenyl)methanol

Names & synonyms

81518-54-94-(ethylthio)benzyl alcohol4-(4-Ethylthio)benzyl alcohol(4-ethylsulfanylphenyl)methanol[4-(Ethylsulfanyl)phenyl]methanolMFCD06201143Ethyl 4-(hydroxymethyl)phenyl sulfideSCHEMBL708720SCHEMBL7674069[4-(Ethylsulfanyl)phenyl]methanol #AKOS013127283F022251

Database identifiers

PubChem CID: 533638
Nikkaji: J591.461B

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 45.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 97.7

Related reactions

1 records

New reaction record

HRID 257848As productuspto-grants-1993_11

Compound notes

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