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2-Acetylthiophene ethylene acetal

HCID 7010305
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(c2cccs2)OCCO1
InChIKey
CNPKXFSCQYGEQV-UHFFFAOYSA-N
Molecular formula
C8H10O2S
Average molar mass
170.23 g/mol

Names & identifiers

Preferred name
2-Acetylthiophene ethylene acetal
IUPAC
2-methyl-2-thiophen-2-yl-1,3-dioxolane

Names & synonyms

2-Acetylthiophene ethylene acetal2-methyl-2-thiophen-2-yl-[1,3]dioxolaneSCHEMBL754463CNPKXFSCQYGEQV-UHFFFAOYSA-NAKOS0223582802-Methyl-2-(2-thienyl)-1,3-dioxolan2-(2-methyl-1,3-dioxolan-2-yl)thiophene2-(2-methyl[1,3]dioxolane-2-yl)thiopheneST50824978H68907

Database identifiers

PubChem CID
7010305

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
46.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
143

Related reactions

7 records
New reaction record
HRID 42753 reaction equation
HRID 42753As reactantuspto-grants-2013_09
HRID 357740 reaction equation
HRID 357740As reactantuspto-grants-1998_11
HRID 1044741 reaction equation
HRID 1044741As reactantuspto-grants-2013_10
HRID 1119842 reaction equation
HRID 1119842As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1129652 reaction equation
HRID 1129652As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1189395 reaction equation
HRID 1189395As reactantuspto-grants-2014_03
HRID 2064950 reaction equation
HRID 2064950As reactantuspto-grants-2012_10

Compound notes

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