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2-(3-Butenylthio)-2-methylpropanal

HCID 10464580
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCCSC(C)(C)C=O
InChIKey
ZQVIHWVCYTVEQT-UHFFFAOYSA-N
Molecular formula
C8H14OS
Average molar mass
158.26 g/mol
Monoisotopic mass
158.07653624

Names & identifiers

Preferred name
2-(3-Butenylthio)-2-methylpropanal
IUPAC
2-but-3-enylsulfanyl-2-methylpropanal

Names & synonyms

2-(3-butenylthio)-2-methylpropanalSCHEMBL9323336ZQVIHWVCYTVEQT-UHFFFAOYSA-N2-(3-butenylthio)-2methylpropanal

Database identifiers

PubChem CID
10464580

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
42.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
10
Formal charge
0
Complexity
118

Related reactions

3 records
New reaction record
HRID 171355 reaction equation
HRID 171355As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1090042 reaction equation
HRID 1090042As reactantuspto-grants-1992_01
HRID 1494701 reaction equation
HRID 1494701As reactantuspto-grants-1991_06

Compound notes

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