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3-[(Dimethylamino)methyl]-2-methylsulfanylphenol

HCID 21930352
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CSc1c(O)cccc1CN(C)C
InChIKey
DEOLKXSEDAOZMN-UHFFFAOYSA-N
Molecular formula
C10H15NOS
Average molar mass
197.3 g/mol
Monoisotopic mass
197.08743528

Names & identifiers

Preferred name
3-[(Dimethylamino)methyl]-2-methylsulfanylphenol
IUPAC
3-[(dimethylamino)methyl]-2-methylsulfanylphenol

Database identifiers

PubChem CID
21930352

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
48.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
152

Related reactions

2 records
New reaction record
HRID 123793 reaction equation
HRID 123793As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 837733 reaction equation
HRID 837733As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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