4-bromo-2-(3-bromo-2-methylpropyl)thiophene

C8H10Br2S — CID 66050484

IUPAC4-bromo-2-(3-bromo-2-methylpropyl)thiophene
SMILESCC(CBr)Cc1cc(Br)cs1
InChIInChI=1S/C8H10Br2S/c1-6(4-9)2-8-3-7(10)5-11-8/h3,5-6H,2,4H2,1H3
InChIKeyCGVCICRPIIEUKO-UHFFFAOYSA-N
MW298.04 g/mol
LogP4.08
Rot. Bonds3

About 4-bromo-2-(3-bromo-2-methylpropyl)thiophene

4-bromo-2-(3-bromo-2-methylpropyl)thiophene (PubChem CID 66050484) has the molecular formula C8H10Br2S and a molecular weight of 298.04 g/mol. Its IUPAC name is 4-bromo-2-(3-bromo-2-methylpropyl)thiophene.

Molecular Properties

Compound Name4-bromo-2-(3-bromo-2-methylpropyl)thiophene
PubChem CID66050484
Molecular FormulaC8H10Br2S
Molecular Weight298.04 g/mol
Exact Mass295.89
IUPAC Name4-bromo-2-(3-bromo-2-methylpropyl)thiophene
SMILESCC(CBr)Cc1cc(Br)cs1
InChIInChI=1S/C8H10Br2S/c1-6(4-9)2-8-3-7(10)5-11-8/h3,5-6H,2,4H2,1H3
InChIKeyCGVCICRPIIEUKO-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.04
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromothiophen-2-yl)-2,3-dimethylbutan-1-amine
CID 81009780
2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-amine
CID 62504678
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
2-[(4-bromothiophen-2-yl)methyl]-4-methylpentan-1-ol
CID 66059169
4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015944
4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene
CID 112570643
4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015481
1-(4-bromothiophen-2-yl)-4,5,5-trimethylhexan-2-ol
CID 115790391
2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 66059833
2-[(4-bromothiophen-2-yl)methyl]butan-1-amine
CID 62503815
4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81015868
1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
CID 62606170

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-bromo-2-methylpropyl)thiophene?
The IUPAC name of 4-bromo-2-(3-bromo-2-methylpropyl)thiophene (CID 66050484) is 4-bromo-2-(3-bromo-2-methylpropyl)thiophene.
What is the SMILES notation for 4-bromo-2-(3-bromo-2-methylpropyl)thiophene?
The canonical SMILES for 4-bromo-2-(3-bromo-2-methylpropyl)thiophene is CC(CBr)Cc1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-(3-bromo-2-methylpropyl)thiophene?
The InChIKey is CGVCICRPIIEUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2S/c1-6(4-9)2-8-3-7(10)5-11-8/h3,5-6H,2,4H2,1H3.
What are the key properties of 4-bromo-2-(3-bromo-2-methylpropyl)thiophene?
4-bromo-2-(3-bromo-2-methylpropyl)thiophene has a molecular weight of 298.04 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-bromo-2-methylpropyl)thiophene is sourced from PubChem (CID 66050484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).