4-bromo-2-ethylthiophene

C6H7BrS — CID 12792388

IUPAC4-bromo-2-ethylthiophene
SMILESCCc1cc(Br)cs1
InChIInChI=1S/C6H7BrS/c1-2-6-3-5(7)4-8-6/h3-4H,2H2,1H3
InChIKeyWQAHNJBJOOVOIQ-UHFFFAOYSA-N
MW191.09 g/mol
LogP3.07
Rot. Bonds1

About 4-bromo-2-ethylthiophene

4-bromo-2-ethylthiophene (PubChem CID 12792388) has the molecular formula C6H7BrS and a molecular weight of 191.09 g/mol. Its IUPAC name is 4-bromo-2-ethylthiophene.

Molecular Properties

Compound Name4-bromo-2-ethylthiophene
PubChem CID12792388
Molecular FormulaC6H7BrS
Molecular Weight191.09 g/mol
Exact Mass189.95
IUPAC Name4-bromo-2-ethylthiophene
SMILESCCc1cc(Br)cs1
InChIInChI=1S/C6H7BrS/c1-2-6-3-5(7)4-8-6/h3-4H,2H2,1H3
InChIKeyWQAHNJBJOOVOIQ-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 4-bromo-2-ethylthiophene?
The IUPAC name of 4-bromo-2-ethylthiophene (CID 12792388) is 4-bromo-2-ethylthiophene.
What is the SMILES notation for 4-bromo-2-ethylthiophene?
The canonical SMILES for 4-bromo-2-ethylthiophene is CCc1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-ethylthiophene?
The InChIKey is WQAHNJBJOOVOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrS/c1-2-6-3-5(7)4-8-6/h3-4H,2H2,1H3.
What are the key properties of 4-bromo-2-ethylthiophene?
4-bromo-2-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 4-bromo-2-ethylthiophene is sourced from PubChem (CID 12792388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).