3-Benzylthio-2,2-dimethylpropionyl chloride

HCID 14969986
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Basic information

Standard SMILES
CC(C)(CSCc1ccccc1)C(=O)Cl
InChIKey
DXEBUTGNNZLIQM-UHFFFAOYSA-N
Molecular formula
C12H15ClOS
Average molar mass
242.77 g/mol

Names & identifiers

Preferred name
3-Benzylthio-2,2-dimethylpropionyl chloride
IUPAC
3-benzylsulfanyl-2,2-dimethylpropanoyl chloride

Names & synonyms

SCHEMBL9301235DXEBUTGNNZLIQM-UHFFFAOYSA-N3-benzylthio-2,2-dimethylpropionyl chloride

Database identifiers

PubChem CID
14969986

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
42.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
15

Related reactions

1 records
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Compound notes

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