3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene

C8H10Br2S2 — CID 15864418

IUPAC3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene
SMILESCCSc1sc(CC)c(Br)c1Br
InChIInChI=1S/C8H10Br2S2/c1-3-5-6(9)7(10)8(12-5)11-4-2/h3-4H2,1-2H3
InChIKeyUNUHDYCAOONNAJ-UHFFFAOYSA-N
MW330.11 g/mol
LogP4.95
Rot. Bonds3

About 3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene

3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene (PubChem CID 15864418) has the molecular formula C8H10Br2S2 and a molecular weight of 330.11 g/mol. Its IUPAC name is 3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene.

Molecular Properties

Compound Name3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene
PubChem CID15864418
Molecular FormulaC8H10Br2S2
Molecular Weight330.11 g/mol
Exact Mass327.86
IUPAC Name3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene
SMILESCCSc1sc(CC)c(Br)c1Br
InChIInChI=1S/C8H10Br2S2/c1-3-5-6(9)7(10)8(12-5)11-4-2/h3-4H2,1-2H3
InChIKeyUNUHDYCAOONNAJ-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.11
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene?
The IUPAC name of 3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene (CID 15864418) is 3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene.
What is the SMILES notation for 3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene?
The canonical SMILES for 3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene is CCSc1sc(CC)c(Br)c1Br.
What is the InChIKey of 3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene?
The InChIKey is UNUHDYCAOONNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2S2/c1-3-5-6(9)7(10)8(12-5)11-4-2/h3-4H2,1-2H3.
What are the key properties of 3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene?
3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene has a molecular weight of 330.11 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-ethyl-5-ethylsulfanylthiophene is sourced from PubChem (CID 15864418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).