5-methyl-6,7-dihydro-1-benzothiophen-4(5H)-one

HCID 15411508
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Basic information

Standard SMILES
CC1CCc2sccc2C1=O
InChIKey
VMIZWBVAJZOOAR-UHFFFAOYSA-N
Molecular formula
C9H10OS
Average molar mass
166.24 g/mol

Names & identifiers

Preferred name
5-methyl-6,7-dihydro-1-benzothiophen-4(5H)-one
IUPAC
5-methyl-6,7-dihydro-5H-1-benzothiophen-4-one

Names & synonyms

SCHEMBL6101157VMIZWBVAJZOOAR-UHFFFAOYSA-N5-methyl-6,7-dihydro-1-benzothiophen-4(5H)-one

Database identifiers

PubChem CID
15411508

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
45.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

Related reactions

15 records
New reaction record

Compound notes

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