1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone

C9H10Br2O3S2 — CID 64644308

IUPAC1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H10Br2O3S2/c1-2-3-16(13,14)5-7(12)6-4-8(10)15-9(6)11/h4H,2-3,5H2,1H3
InChIKeyBYQUFVUNNZIZGQ-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.28
Rot. Bonds5

About 1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone

1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone (PubChem CID 64644308) has the molecular formula C9H10Br2O3S2 and a molecular weight of 390.12 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone
PubChem CID64644308
Molecular FormulaC9H10Br2O3S2
Molecular Weight390.12 g/mol
Exact Mass387.84
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H10Br2O3S2/c1-2-3-16(13,14)5-7(12)6-4-8(10)15-9(6)11/h4H,2-3,5H2,1H3
InChIKeyBYQUFVUNNZIZGQ-UHFFFAOYSA-N
XLogP3.28
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone
CID 62784747
1-(2,5-dibromothiophen-3-yl)-2-(2-methylpropylsulfonyl)ethanone
CID 64641624
1-(2,5-dimethylthiophen-3-yl)-2-propylsulfonylethanone
CID 64642589
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone
CID 64644455
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
CID 43795311
1-(2,5-dibromothiophen-3-yl)-2-(3,4-difluorophenyl)sulfonylethanone
CID 64642993
2,5-dibromo-N,N-diethylthiophene-3-carboxamide
CID 103672324
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62051251
2-bromo-1-(2,5-dibromothiophen-3-yl)butan-1-one
CID 63386483
1-(2,5-dibromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114021988
1-(2,5-dibromothiophen-3-yl)hex-4-yn-1-one
CID 107967788
1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428681

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone (CID 64644308) is 1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone is CCCS(=O)(=O)CC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone?
The InChIKey is BYQUFVUNNZIZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O3S2/c1-2-3-16(13,14)5-7(12)6-4-8(10)15-9(6)11/h4H,2-3,5H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone?
1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone has a molecular weight of 390.12 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone is sourced from PubChem (CID 64644308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).