2-(3-Methylthiophen-2-yl)-1,3-dioxolane

HCID 12926522

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccsc1C1OCCO1
InChIKey: UXXOEDMEGTWEBV-UHFFFAOYSA-N
Molecular formula: C8H10O2S
Average molar mass: 170.23 g/mol

Names & identifiers

Preferred name: 2-(3-Methylthiophen-2-yl)-1,3-dioxolane
IUPAC: 2-(3-methylthiophen-2-yl)-1,3-dioxolane

Names & synonyms

2-(3-methylthiophen-2-yl)-1,3-dioxolaneSCHEMBL971483UXXOEDMEGTWEBV-UHFFFAOYSA-NAKOS0062930362-(3-Methyl-2-thienyl)-1,3-dioxolane2-(3-methylthien-2-yl)-1,3-dioxolane

Database identifiers

PubChem CID: 12926522

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 46.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Related reactions

11 records

New reaction record

HRID 9655As productuspto-grants-2006_08

HRID 9656As reactantuspto-grants-2006_08

HRID 147776As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 214763As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 281805As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 867931As productuspto-grants-1988_10

HRID 867932As reactantuspto-grants-1988_10

HRID 950741As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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