3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene

C8H9BrCl2S — CID 63444629

IUPAC3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene
SMILESCC(C)C(Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9BrCl2S/c1-4(2)7(9)5-3-6(10)12-8(5)11/h3-4,7H,1-2H3
InChIKeyJDQIJBBOKIXYMT-UHFFFAOYSA-N
MW288.04 g/mol
LogP5.15
Rot. Bonds2

About 3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene

3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene (PubChem CID 63444629) has the molecular formula C8H9BrCl2S and a molecular weight of 288.04 g/mol. Its IUPAC name is 3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene.

Molecular Properties

Compound Name3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene
PubChem CID63444629
Molecular FormulaC8H9BrCl2S
Molecular Weight288.04 g/mol
Exact Mass285.90
IUPAC Name3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene
SMILESCC(C)C(Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H9BrCl2S/c1-4(2)7(9)5-3-6(10)12-8(5)11/h3-4,7H,1-2H3
InChIKeyJDQIJBBOKIXYMT-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.04
LogP ≤ 55.15
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

3-(1-bromo-2-cyclopropylpropyl)-2,5-dichlorothiophene
CID 83149199
2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene
CID 63436827
3-(1-bromo-2-propylpentyl)-2,5-dichlorothiophene
CID 82987916
3-(1-bromo-3,4,4-trimethylpentyl)-2,5-dichlorothiophene
CID 63834018
3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene
CID 61097775
3-[bromo-(3,4-dimethylphenyl)methyl]-2,5-dichlorothiophene
CID 55200123
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
3-[bromo-(2,4-dimethylphenyl)methyl]-2,5-dichlorothiophene
CID 63444945
2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene
CID 114876054
[1-(2,5-dichlorothiophen-3-yl)-2,2-dimethylpropyl]hydrazine
CID 107970279
(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
CID 82758613
3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene
CID 61097945

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene?
The IUPAC name of 3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene (CID 63444629) is 3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene.
What is the SMILES notation for 3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene?
The canonical SMILES for 3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene is CC(C)C(Br)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene?
The InChIKey is JDQIJBBOKIXYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrCl2S/c1-4(2)7(9)5-3-6(10)12-8(5)11/h3-4,7H,1-2H3.
What are the key properties of 3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene?
3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene has a molecular weight of 288.04 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene is sourced from PubChem (CID 63444629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).