2,5-dibromo-3-ethyl-1-benzothiophene

C10H8Br2S — CID 131030787

IUPAC2,5-dibromo-3-ethyl-1-benzothiophene
SMILESCCc1c(Br)sc2ccc(Br)cc12
InChIInChI=1S/C10H8Br2S/c1-2-7-8-5-6(11)3-4-9(8)13-10(7)12/h3-5H,2H2,1H3
InChIKeyATRDLXBIPIDDQK-UHFFFAOYSA-N
MW320.05 g/mol
LogP4.99
Rot. Bonds1

About 2,5-dibromo-3-ethyl-1-benzothiophene

2,5-dibromo-3-ethyl-1-benzothiophene (PubChem CID 131030787) has the molecular formula C10H8Br2S and a molecular weight of 320.05 g/mol. Its IUPAC name is 2,5-dibromo-3-ethyl-1-benzothiophene.

Molecular Properties

Compound Name2,5-dibromo-3-ethyl-1-benzothiophene
PubChem CID131030787
Molecular FormulaC10H8Br2S
Molecular Weight320.05 g/mol
Exact Mass317.87
IUPAC Name2,5-dibromo-3-ethyl-1-benzothiophene
SMILESCCc1c(Br)sc2ccc(Br)cc12
InChIInChI=1S/C10H8Br2S/c1-2-7-8-5-6(11)3-4-9(8)13-10(7)12/h3-5H,2H2,1H3
InChIKeyATRDLXBIPIDDQK-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.05
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-ethyl-1-benzothiophene?
The IUPAC name of 2,5-dibromo-3-ethyl-1-benzothiophene (CID 131030787) is 2,5-dibromo-3-ethyl-1-benzothiophene.
What is the SMILES notation for 2,5-dibromo-3-ethyl-1-benzothiophene?
The canonical SMILES for 2,5-dibromo-3-ethyl-1-benzothiophene is CCc1c(Br)sc2ccc(Br)cc12.
What is the InChIKey of 2,5-dibromo-3-ethyl-1-benzothiophene?
The InChIKey is ATRDLXBIPIDDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2S/c1-2-7-8-5-6(11)3-4-9(8)13-10(7)12/h3-5H,2H2,1H3.
What are the key properties of 2,5-dibromo-3-ethyl-1-benzothiophene?
2,5-dibromo-3-ethyl-1-benzothiophene has a molecular weight of 320.05 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-ethyl-1-benzothiophene is sourced from PubChem (CID 131030787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).