2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone

C7H6Br2OS — CID 65279850

IUPAC2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone
SMILESCc1cc(Br)c(C(=O)CBr)s1
InChIInChI=1S/C7H6Br2OS/c1-4-2-5(9)7(11-4)6(10)3-8/h2H,3H2,1H3
InChIKeyBLZPINVXJVVSGP-UHFFFAOYSA-N
MW298.00 g/mol
LogP3.40
Rot. Bonds2

About 2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone

2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone (PubChem CID 65279850) has the molecular formula C7H6Br2OS and a molecular weight of 298.00 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone
PubChem CID65279850
Molecular FormulaC7H6Br2OS
Molecular Weight298.00 g/mol
Exact Mass295.85
IUPAC Name2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone
SMILESCc1cc(Br)c(C(=O)CBr)s1
InChIInChI=1S/C7H6Br2OS/c1-4-2-5(9)7(11-4)6(10)3-8/h2H,3H2,1H3
InChIKeyBLZPINVXJVVSGP-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.00
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-5-methylthiophen-2-yl)octan-1-one
CID 65279641
1-(3-bromo-5-methylthiophen-2-yl)decan-1-one
CID 65449693
1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone
CID 103162515
1-(3-bromo-5-methylthiophen-2-yl)-2-cyclohexylethanone
CID 65279322
2-(1-adamantyl)-1-(3-bromo-5-methylthiophen-2-yl)ethanone
CID 79988666
1-(3-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-one
CID 65279859
1-(3-bromo-5-methylthiophen-2-yl)-2-propylpentan-1-one
CID 82984781
3-bromo-2-(1-fluoroethenyl)-5-methylthiophene
CID 142907298
(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone
CID 65279746
1-(3-bromo-5-methylthiophen-2-yl)-3-(oxan-2-yl)propan-1-one
CID 65279168
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanone
CID 65279107
1-(3-bromo-5-methylthiophen-2-yl)propan-2-one
CID 84795832

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone (CID 65279850) is 2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone is Cc1cc(Br)c(C(=O)CBr)s1.
What is the InChIKey of 2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone?
The InChIKey is BLZPINVXJVVSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2OS/c1-4-2-5(9)7(11-4)6(10)3-8/h2H,3H2,1H3.
What are the key properties of 2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone?
2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone has a molecular weight of 298.00 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 65279850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).