Thiophene, 2-butyl-5-ethenyl

HCID 528245

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 113591-60-9
Standard SMILES: C=Cc1ccc(CCCC)s1
InChIKey: JKFTXICJYSTDFO-UHFFFAOYSA-N
Molecular formula: C10H14S
Average molar mass: 166.29 g/mol
Monoisotopic mass: 166.08162162

Names & identifiers

Preferred name: Thiophene, 2-butyl-5-ethenyl
IUPAC: 2-butyl-5-ethenylthiophene

Names & synonyms

Thiophene, 2-butyl-5-ethenyl113591-60-92-butyl-5-ethenylthiophene2-Butyl-5-vinylthiopheneSCHEMBL10684092DTXSID70335977(5-n-butylthiophen-2-yl)-ethylene

Database identifiers

CAS: 113591-60-9
PubChem CID: 528245
DTXSID: DTXSID70335977

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 120

Related reactions

4 records

New reaction record

HRID 150278As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 941808As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1252457As productuspto-grants-1988_05

HRID 1252458As reactantuspto-grants-1988_05

Compound notes

Loading…