2-buta-1,3-dien-2-ylthiophene

C8H8S — CID 58963888

IUPAC2-buta-1,3-dien-2-ylthiophene
SMILESC=CC(=C)c1cccs1
InChIInChI=1S/C8H8S/c1-3-7(2)8-5-4-6-9-8/h3-6H,1-2H2
InChIKeyREXVDXFIQKSARA-UHFFFAOYSA-N
MW136.22 g/mol
LogP2.95
Rot. Bonds2

About 2-buta-1,3-dien-2-ylthiophene

2-buta-1,3-dien-2-ylthiophene (PubChem CID 58963888) has the molecular formula C8H8S and a molecular weight of 136.22 g/mol. Its IUPAC name is 2-buta-1,3-dien-2-ylthiophene.

Molecular Properties

Compound Name2-buta-1,3-dien-2-ylthiophene
PubChem CID58963888
Molecular FormulaC8H8S
Molecular Weight136.22 g/mol
Exact Mass136.03
IUPAC Name2-buta-1,3-dien-2-ylthiophene
SMILESC=CC(=C)c1cccs1
InChIInChI=1S/C8H8S/c1-3-7(2)8-5-4-6-9-8/h3-6H,1-2H2
InChIKeyREXVDXFIQKSARA-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethene;2-(1-thiophen-2-ylethenyl)thiophene
CID 174797517
2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene
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2-(1,2,2-trithiophen-2-ylethenyl)thiophene
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2-(1-ethylsulfanylethenyl)thiophene
CID 142318673
2-(1-thiophen-2-ylprop-1-enyl)thiophene
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1-thiophen-2-ylprop-1-en-1-ol
CID 68622229
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
(Z)-2-thiophen-2-ylprop-1-en-1-amine
CID 89332768
CID 11204853
CID 11204853
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507

Frequently Asked Questions

What is the IUPAC name of 2-buta-1,3-dien-2-ylthiophene?
The IUPAC name of 2-buta-1,3-dien-2-ylthiophene (CID 58963888) is 2-buta-1,3-dien-2-ylthiophene.
What is the SMILES notation for 2-buta-1,3-dien-2-ylthiophene?
The canonical SMILES for 2-buta-1,3-dien-2-ylthiophene is C=CC(=C)c1cccs1.
What is the InChIKey of 2-buta-1,3-dien-2-ylthiophene?
The InChIKey is REXVDXFIQKSARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8S/c1-3-7(2)8-5-4-6-9-8/h3-6H,1-2H2.
What are the key properties of 2-buta-1,3-dien-2-ylthiophene?
2-buta-1,3-dien-2-ylthiophene has a molecular weight of 136.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,3-dien-2-ylthiophene is sourced from PubChem (CID 58963888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).