3,4-dibromo-2-propylthiophene

C7H8Br2S — CID 10517128

IUPAC3,4-dibromo-2-propylthiophene
SMILESCCCc1scc(Br)c1Br
InChIInChI=1S/C7H8Br2S/c1-2-3-6-7(9)5(8)4-10-6/h4H,2-3H2,1H3
InChIKeyCBZRXRNYZYLQET-UHFFFAOYSA-N
MW284.02 g/mol
LogP4.23
Rot. Bonds2

About 3,4-dibromo-2-propylthiophene

3,4-dibromo-2-propylthiophene (PubChem CID 10517128) has the molecular formula C7H8Br2S and a molecular weight of 284.02 g/mol. Its IUPAC name is 3,4-dibromo-2-propylthiophene.

Molecular Properties

Compound Name3,4-dibromo-2-propylthiophene
PubChem CID10517128
Molecular FormulaC7H8Br2S
Molecular Weight284.02 g/mol
Exact Mass281.87
IUPAC Name3,4-dibromo-2-propylthiophene
SMILESCCCc1scc(Br)c1Br
InChIInChI=1S/C7H8Br2S/c1-2-3-6-7(9)5(8)4-10-6/h4H,2-3H2,1H3
InChIKeyCBZRXRNYZYLQET-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.02
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-propylthiophene?
The IUPAC name of 3,4-dibromo-2-propylthiophene (CID 10517128) is 3,4-dibromo-2-propylthiophene.
What is the SMILES notation for 3,4-dibromo-2-propylthiophene?
The canonical SMILES for 3,4-dibromo-2-propylthiophene is CCCc1scc(Br)c1Br.
What is the InChIKey of 3,4-dibromo-2-propylthiophene?
The InChIKey is CBZRXRNYZYLQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2S/c1-2-3-6-7(9)5(8)4-10-6/h4H,2-3H2,1H3.
What are the key properties of 3,4-dibromo-2-propylthiophene?
3,4-dibromo-2-propylthiophene has a molecular weight of 284.02 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-propylthiophene is sourced from PubChem (CID 10517128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).