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N-(3,4-difluorobenzyl)-N-methylthioacetamide

HCID 86217852
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Basic information

Standard SMILES
CC(=S)N(C)Cc1ccc(F)c(F)c1
InChIKey
GHVJTRZDDKHCIY-UHFFFAOYSA-N
Molecular formula
C10H11F2NS
Average molar mass
215.26 g/mol

Names & identifiers

Preferred name
N-(3,4-difluorobenzyl)-N-methylthioacetamide
IUPAC
N-[(3,4-difluorophenyl)methyl]-N-methylethanethioamide

Names & synonyms

SCHEMBL4870088GHVJTRZDDKHCIY-UHFFFAOYSA-NN-(3,4-difluorobenzyl)-N-methylthioacetamide

Database identifiers

PubChem CID
86217852

Properties

Computed structural properties

XLogP
2
Topological polar surface area
35.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
210

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Related reactions

2 records
New reaction record
HRID 672806 reaction equation
HRID 672806As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2053721 reaction equation
HRID 2053721As reactantuspto-grants-2008_02

Compound notes

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