1-(3,4-dibromothiophen-2-yl)-2-phenylethanone

C12H8Br2OS — CID 79602437

IUPAC1-(3,4-dibromothiophen-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1scc(Br)c1Br
InChIInChI=1S/C12H8Br2OS/c13-9-7-16-12(11(9)14)10(15)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyFLQUFLIGOXIMLI-UHFFFAOYSA-N
MW360.07 g/mol
LogP4.70
Rot. Bonds3

About 1-(3,4-dibromothiophen-2-yl)-2-phenylethanone

1-(3,4-dibromothiophen-2-yl)-2-phenylethanone (PubChem CID 79602437) has the molecular formula C12H8Br2OS and a molecular weight of 360.07 g/mol. Its IUPAC name is 1-(3,4-dibromothiophen-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3,4-dibromothiophen-2-yl)-2-phenylethanone
PubChem CID79602437
Molecular FormulaC12H8Br2OS
Molecular Weight360.07 g/mol
Exact Mass357.87
IUPAC Name1-(3,4-dibromothiophen-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1scc(Br)c1Br
InChIInChI=1S/C12H8Br2OS/c13-9-7-16-12(11(9)14)10(15)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyFLQUFLIGOXIMLI-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.07
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dibromothiophen-2-yl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromothiophen-3-yl)-2-phenylethanone
CID 79596157
3,4-dibromothiophene-2-carboxylic acid
CID 625409
methyl 4-bromo-3-[(2-phenylacetyl)amino]thiophene-2-carboxylate
CID 176893694
CID 140615656
CID 140615656
1-(4-methoxythiophen-2-yl)-2-phenylethanone
CID 81123035
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-(5-methylthiophen-3-yl)-3-phenylpropan-1-one
CID 58514679
1-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)-2-phenylethanone
CID 15444816
1,2-diphenylethanone;diphenylmethanone
CID 141067729
1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114638939
2-phenylacetic acid;silver
CID 50912513

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dibromothiophen-2-yl)-2-phenylethanone?
The IUPAC name of 1-(3,4-dibromothiophen-2-yl)-2-phenylethanone (CID 79602437) is 1-(3,4-dibromothiophen-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(3,4-dibromothiophen-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(3,4-dibromothiophen-2-yl)-2-phenylethanone is O=C(Cc1ccccc1)c1scc(Br)c1Br.
What is the InChIKey of 1-(3,4-dibromothiophen-2-yl)-2-phenylethanone?
The InChIKey is FLQUFLIGOXIMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2OS/c13-9-7-16-12(11(9)14)10(15)6-8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 1-(3,4-dibromothiophen-2-yl)-2-phenylethanone?
1-(3,4-dibromothiophen-2-yl)-2-phenylethanone has a molecular weight of 360.07 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dibromothiophen-2-yl)-2-phenylethanone is sourced from PubChem (CID 79602437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).