2-Amino-1-[4-(methylthio)phenyl]ethanol

HCID 16768340

Notes Reactions

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Basic information

Standard SMILES: CSc1ccc(C(O)CN)cc1
InChIKey: ZVVBENHGJGTCIS-UHFFFAOYSA-N
Molecular formula: C9H13NOS
Average molar mass: 183.27 g/mol
Monoisotopic mass: 183.07178521

Names & identifiers

Preferred name: 2-Amino-1-[4-(methylthio)phenyl]ethanol
IUPAC: 2-amino-1-(4-methylsulfanylphenyl)ethanol

Names & synonyms

2-amino-1-[4-(methylsulfanyl)phenyl]ethan-1-ol2-AMINO-1-[4-(METHYLTHIO)PHENYL]ETHANOL145412-92-62-amino-1-(4-methylsulfanylphenyl)ethanolSCHEMBL3405625ZVVBENHGJGTCIS-UHFFFAOYSA-NAKOS000124154SY4871792-Amino-1-(4-methylsulfanyl-phenyl)-ethanolEN300-1233478F2148-0284

Database identifiers

PubChem CID: 16768340
Nikkaji: J532.147F

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 124

Related reactions

2 records

New reaction record

HRID 824360As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1908254As productuspto-grants-2013_12

Compound notes

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