1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone

C13H10Br2O2S2 — CID 64640545

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone
SMILESCc1ccccc1S(=O)CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H10Br2O2S2/c1-8-4-2-3-5-11(8)19(17)7-10(16)9-6-12(14)18-13(9)15/h2-6H,7H2,1H3
InChIKeyQRAUZQOEWZAGNO-UHFFFAOYSA-N
MW422.16 g/mol
LogP4.57
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone

1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone (PubChem CID 64640545) has the molecular formula C13H10Br2O2S2 and a molecular weight of 422.16 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone
PubChem CID64640545
Molecular FormulaC13H10Br2O2S2
Molecular Weight422.16 g/mol
Exact Mass419.85
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone
SMILESCc1ccccc1S(=O)CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H10Br2O2S2/c1-8-4-2-3-5-11(8)19(17)7-10(16)9-6-12(14)18-13(9)15/h2-6H,7H2,1H3
InChIKeyQRAUZQOEWZAGNO-UHFFFAOYSA-N
XLogP4.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.16
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone
CID 43344934
2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64638938
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636293
1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638337
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638732
1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228317
1-(2-methylphenyl)sulfinylbutan-2-one
CID 64641154
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491825
2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
1-(2,5-dibromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114021988
1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone
CID 107962768
1-(2,5-dibromothiophen-3-yl)-2-(3-methylindol-1-yl)ethanone
CID 63565804

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone (CID 64640545) is 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone is Cc1ccccc1S(=O)CC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone?
The InChIKey is QRAUZQOEWZAGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O2S2/c1-8-4-2-3-5-11(8)19(17)7-10(16)9-6-12(14)18-13(9)15/h2-6H,7H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone?
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone has a molecular weight of 422.16 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone is sourced from PubChem (CID 64640545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).