2-(2-bromoethyl)thiophene

C6H7BrS — CID 566160

IUPAC2-(2-bromoethyl)thiophene
SMILESBrCCc1cccs1
InChIInChI=1S/C6H7BrS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4H2
InChIKeyJSELWWIIPRBECO-UHFFFAOYSA-N
MW191.09 g/mol
LogP2.69
Rot. Bonds2

About 2-(2-bromoethyl)thiophene

2-(2-bromoethyl)thiophene (PubChem CID 566160) has the molecular formula C6H7BrS and a molecular weight of 191.09 g/mol. Its IUPAC name is 2-(2-bromoethyl)thiophene.

Molecular Properties

Compound Name2-(2-bromoethyl)thiophene
PubChem CID566160
Molecular FormulaC6H7BrS
Molecular Weight191.09 g/mol
Exact Mass189.95
IUPAC Name2-(2-bromoethyl)thiophene
SMILESBrCCc1cccs1
InChIInChI=1S/C6H7BrS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4H2
InChIKeyJSELWWIIPRBECO-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.09
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)thiophene?
The IUPAC name of 2-(2-bromoethyl)thiophene (CID 566160) is 2-(2-bromoethyl)thiophene.
What is the SMILES notation for 2-(2-bromoethyl)thiophene?
The canonical SMILES for 2-(2-bromoethyl)thiophene is BrCCc1cccs1.
What is the InChIKey of 2-(2-bromoethyl)thiophene?
The InChIKey is JSELWWIIPRBECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4H2.
What are the key properties of 2-(2-bromoethyl)thiophene?
2-(2-bromoethyl)thiophene has a molecular weight of 191.09 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)thiophene is sourced from PubChem (CID 566160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).