2-(2-bromoethyl)-5-methylthiophene

C7H9BrS — CID 64867736

IUPAC2-(2-bromoethyl)-5-methylthiophene
SMILESCc1ccc(CCBr)s1
InChIInChI=1S/C7H9BrS/c1-6-2-3-7(9-6)4-5-8/h2-3H,4-5H2,1H3
InChIKeyGYGABVLGQGREHG-UHFFFAOYSA-N
MW205.12 g/mol
LogP2.99
Rot. Bonds2

About 2-(2-bromoethyl)-5-methylthiophene

2-(2-bromoethyl)-5-methylthiophene (PubChem CID 64867736) has the molecular formula C7H9BrS and a molecular weight of 205.12 g/mol. Its IUPAC name is 2-(2-bromoethyl)-5-methylthiophene.

Molecular Properties

Compound Name2-(2-bromoethyl)-5-methylthiophene
PubChem CID64867736
Molecular FormulaC7H9BrS
Molecular Weight205.12 g/mol
Exact Mass203.96
IUPAC Name2-(2-bromoethyl)-5-methylthiophene
SMILESCc1ccc(CCBr)s1
InChIInChI=1S/C7H9BrS/c1-6-2-3-7(9-6)4-5-8/h2-3H,4-5H2,1H3
InChIKeyGYGABVLGQGREHG-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.12
LogP ≤ 52.99
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)-5-methylthiophene?
The IUPAC name of 2-(2-bromoethyl)-5-methylthiophene (CID 64867736) is 2-(2-bromoethyl)-5-methylthiophene.
What is the SMILES notation for 2-(2-bromoethyl)-5-methylthiophene?
The canonical SMILES for 2-(2-bromoethyl)-5-methylthiophene is Cc1ccc(CCBr)s1.
What is the InChIKey of 2-(2-bromoethyl)-5-methylthiophene?
The InChIKey is GYGABVLGQGREHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrS/c1-6-2-3-7(9-6)4-5-8/h2-3H,4-5H2,1H3.
What are the key properties of 2-(2-bromoethyl)-5-methylthiophene?
2-(2-bromoethyl)-5-methylthiophene has a molecular weight of 205.12 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-5-methylthiophene is sourced from PubChem (CID 64867736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).