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

C7H6Br2O3S2 — CID 62784747

IUPAC1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C7H6Br2O3S2/c1-14(11,12)3-5(10)4-2-6(8)13-7(4)9/h2H,3H2,1H3
InChIKeyWQZIPQKACABTQY-UHFFFAOYSA-N
MW362.06 g/mol
LogP2.50
Rot. Bonds3

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

1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone (PubChem CID 62784747) has the molecular formula C7H6Br2O3S2 and a molecular weight of 362.06 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone
PubChem CID62784747
Molecular FormulaC7H6Br2O3S2
Molecular Weight362.06 g/mol
Exact Mass359.81
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C7H6Br2O3S2/c1-14(11,12)3-5(10)4-2-6(8)13-7(4)9/h2H,3H2,1H3
InChIKeyWQZIPQKACABTQY-UHFFFAOYSA-N
XLogP2.50
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.06
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone
CID 64644308
1-(2,5-dibromothiophen-3-yl)-2-(2-methylpropylsulfonyl)ethanone
CID 64641624
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfonylethanone
CID 64644455
1-(2,5-dibromothiophen-3-yl)-2-(3,4-difluorophenyl)sulfonylethanone
CID 64642993
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62051251
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylsulfonylethanone
CID 80531814
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-(2-methylphenyl)ethanone
CID 43344934
1-(2,5-dibromothiophen-3-yl)-2-(4-methylpentan-2-yloxy)ethanone
CID 43799081
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636293

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone (CID 62784747) is 1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone is CS(=O)(=O)CC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone?
The InChIKey is WQZIPQKACABTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2O3S2/c1-14(11,12)3-5(10)4-2-6(8)13-7(4)9/h2H,3H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone?
1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone has a molecular weight of 362.06 g/mol, XLogP of 2.50, 3 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-methylsulfonylethanone is sourced from PubChem (CID 62784747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).