2-bromo-5-ethylthiophene

C6H7BrS — CID 22729112

IUPAC2-bromo-5-ethylthiophene
SMILESCCc1ccc(Br)s1
InChIInChI=1S/C6H7BrS/c1-2-5-3-4-6(7)8-5/h3-4H,2H2,1H3
InChIKeyHYRYQZIGBWDHAD-UHFFFAOYSA-N
MW191.09 g/mol
LogP3.07
Rot. Bonds1

About 2-bromo-5-ethylthiophene

2-bromo-5-ethylthiophene (PubChem CID 22729112) has the molecular formula C6H7BrS and a molecular weight of 191.09 g/mol. Its IUPAC name is 2-bromo-5-ethylthiophene.

Molecular Properties

Compound Name2-bromo-5-ethylthiophene
PubChem CID22729112
Molecular FormulaC6H7BrS
Molecular Weight191.09 g/mol
Exact Mass189.95
IUPAC Name2-bromo-5-ethylthiophene
SMILESCCc1ccc(Br)s1
InChIInChI=1S/C6H7BrS/c1-2-5-3-4-6(7)8-5/h3-4H,2H2,1H3
InChIKeyHYRYQZIGBWDHAD-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.09
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethylthiophene?
The IUPAC name of 2-bromo-5-ethylthiophene (CID 22729112) is 2-bromo-5-ethylthiophene.
What is the SMILES notation for 2-bromo-5-ethylthiophene?
The canonical SMILES for 2-bromo-5-ethylthiophene is CCc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-ethylthiophene?
The InChIKey is HYRYQZIGBWDHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrS/c1-2-5-3-4-6(7)8-5/h3-4H,2H2,1H3.
What are the key properties of 2-bromo-5-ethylthiophene?
2-bromo-5-ethylthiophene has a molecular weight of 191.09 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethylthiophene is sourced from PubChem (CID 22729112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).