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2-Buten-1-one,1-(2-thienyl)-

HCID 351088
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC=CC(=O)c1cccs1
InChIKey
JDODNXIRTYJZDR-UHFFFAOYSA-N
Molecular formula
C8H8OS
Average molar mass
152.22 g/mol

Names & identifiers

Preferred name
2-Buten-1-one,1-(2-thienyl)-
IUPAC
1-thiophen-2-ylbut-2-en-1-one

Names & synonyms

SCHEMBL90493292-BUTEN-1-ONE,1-(2-THIENYL)-DS-003951

Database identifiers

PubChem CID
351088

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
45.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
151

Related reactions

1 records
New reaction record
HRID 287622 reaction equation
HRID 287622As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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