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

C10H14Br2S — CID 63472952

IUPAC4-bromo-2-(3-bromo-4-methylpentyl)thiophene
SMILESCC(C)C(Br)CCc1cc(Br)cs1
InChIInChI=1S/C10H14Br2S/c1-7(2)10(12)4-3-9-5-8(11)6-13-9/h5-7,10H,3-4H2,1-2H3
InChIKeyRBYFBKBAPZPACQ-UHFFFAOYSA-N
MW326.10 g/mol
LogP4.86
Rot. Bonds4

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

4-bromo-2-(3-bromo-4-methylpentyl)thiophene (PubChem CID 63472952) has the molecular formula C10H14Br2S and a molecular weight of 326.10 g/mol. Its IUPAC name is 4-bromo-2-(3-bromo-4-methylpentyl)thiophene.

Molecular Properties

Compound Name4-bromo-2-(3-bromo-4-methylpentyl)thiophene
PubChem CID63472952
Molecular FormulaC10H14Br2S
Molecular Weight326.10 g/mol
Exact Mass323.92
IUPAC Name4-bromo-2-(3-bromo-4-methylpentyl)thiophene
SMILESCC(C)C(Br)CCc1cc(Br)cs1
InChIInChI=1S/C10H14Br2S/c1-7(2)10(12)4-3-9-5-8(11)6-13-9/h5-7,10H,3-4H2,1-2H3
InChIKeyRBYFBKBAPZPACQ-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.10
LogP ≤ 54.86
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-methylbutanal
CID 64665376
5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine
CID 64504462
4-(4-bromothiophen-2-yl)-2,3-dimethylbutan-1-amine
CID 81009780
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
N'-[2-(4-bromothiophen-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252576
2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-amine
CID 62504678
4-bromo-2-(3-bromo-2-methylpropyl)thiophene
CID 66050484
N-[(4-bromothiophen-2-yl)methyl]-1-chloro-4-methylpentan-3-amine
CID 106353716
2-(3-bromo-4-methylpentyl)-3-chlorothiophene
CID 107360882
3-(4-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 62530823
(2R)-2-[3-(4-bromothiophen-2-yl)propanoylamino]-3-methylbutanoic acid
CID 119368217
4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015944

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-bromo-4-methylpentyl)thiophene?
The IUPAC name of 4-bromo-2-(3-bromo-4-methylpentyl)thiophene (CID 63472952) is 4-bromo-2-(3-bromo-4-methylpentyl)thiophene.
What is the SMILES notation for 4-bromo-2-(3-bromo-4-methylpentyl)thiophene?
The canonical SMILES for 4-bromo-2-(3-bromo-4-methylpentyl)thiophene is CC(C)C(Br)CCc1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-(3-bromo-4-methylpentyl)thiophene?
The InChIKey is RBYFBKBAPZPACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2S/c1-7(2)10(12)4-3-9-5-8(11)6-13-9/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2-(3-bromo-4-methylpentyl)thiophene?
4-bromo-2-(3-bromo-4-methylpentyl)thiophene has a molecular weight of 326.10 g/mol, XLogP of 4.86, 4 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-4-methylpentyl)thiophene is sourced from PubChem (CID 63472952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).