2-(4-chlorobut-1-enyl)thiophene

C8H9ClS — CID 79002392

IUPAC2-(4-chlorobut-1-enyl)thiophene
SMILESClCCC=Cc1cccs1
InChIInChI=1S/C8H9ClS/c9-6-2-1-4-8-5-3-7-10-8/h1,3-5,7H,2,6H2
InChIKeyIJFGFQXERURASX-UHFFFAOYSA-N
MW172.68 g/mol
LogP3.39
Rot. Bonds3

About 2-(4-chlorobut-1-enyl)thiophene

2-(4-chlorobut-1-enyl)thiophene (PubChem CID 79002392) has the molecular formula C8H9ClS and a molecular weight of 172.68 g/mol. Its IUPAC name is 2-(4-chlorobut-1-enyl)thiophene.

Molecular Properties

Compound Name2-(4-chlorobut-1-enyl)thiophene
PubChem CID79002392
Molecular FormulaC8H9ClS
Molecular Weight172.68 g/mol
Exact Mass172.01
IUPAC Name2-(4-chlorobut-1-enyl)thiophene
SMILESClCCC=Cc1cccs1
InChIInChI=1S/C8H9ClS/c9-6-2-1-4-8-5-3-7-10-8/h1,3-5,7H,2,6H2
InChIKeyIJFGFQXERURASX-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.68
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
CID 156698517
5-thiophen-2-ylpenta-2,4-dien-1-ol
CID 54372046
(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
CID 5452261
4-thiophen-2-ylbut-3-enenitrile
CID 170799049
(E)-2-thiophen-2-ylethenol
CID 89297537
2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
CID 10885407
(2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine
CID 20603575
2-[2-(2-thiophen-2-ylethenylsulfonyl)ethenyl]thiophene
CID 141485128
chloro(thiophen-2-ylmethylidene)ruthenium
CID 140886548
S-[(E)-3-thiophen-2-ylprop-2-enyl] ethanethioate
CID 71663485
[(E)-3-thiophen-2-ylprop-2-enyl] acetate
CID 11298325
2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione
CID 15579968

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobut-1-enyl)thiophene?
The IUPAC name of 2-(4-chlorobut-1-enyl)thiophene (CID 79002392) is 2-(4-chlorobut-1-enyl)thiophene.
What is the SMILES notation for 2-(4-chlorobut-1-enyl)thiophene?
The canonical SMILES for 2-(4-chlorobut-1-enyl)thiophene is ClCCC=Cc1cccs1.
What is the InChIKey of 2-(4-chlorobut-1-enyl)thiophene?
The InChIKey is IJFGFQXERURASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClS/c9-6-2-1-4-8-5-3-7-10-8/h1,3-5,7H,2,6H2.
What are the key properties of 2-(4-chlorobut-1-enyl)thiophene?
2-(4-chlorobut-1-enyl)thiophene has a molecular weight of 172.68 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobut-1-enyl)thiophene is sourced from PubChem (CID 79002392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).