2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene

C10H13Br3S — CID 114876229

IUPAC2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene
SMILESCCC(C)CC(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br3S/c1-3-6(2)4-7(11)9-5-8(12)10(13)14-9/h5-7H,3-4H2,1-2H3
InChIKeyLKQRKJIZKBJEBE-UHFFFAOYSA-N
MW404.99 g/mol
LogP6.15
Rot. Bonds4

About 2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene

2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene (PubChem CID 114876229) has the molecular formula C10H13Br3S and a molecular weight of 404.99 g/mol. Its IUPAC name is 2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene
PubChem CID114876229
Molecular FormulaC10H13Br3S
Molecular Weight404.99 g/mol
Exact Mass401.83
IUPAC Name2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene
SMILESCCC(C)CC(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br3S/c1-3-6(2)4-7(11)9-5-8(12)10(13)14-9/h5-7H,3-4H2,1-2H3
InChIKeyLKQRKJIZKBJEBE-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.99
LogP ≤ 56.15
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

2,3-dibromo-5-(1-bromododecyl)thiophene
CID 80534369
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene
CID 80534571
1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine
CID 102827028
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine
CID 102836205
1-(4,5-dibromothiophen-2-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 102839680
1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol
CID 114875966
2,3-dibromo-5-[bromo-(2,3,4,5,6-pentamethylphenyl)methyl]thiophene
CID 80538848
2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene
CID 80534268
1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 80533046
1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 80533794

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene?
The IUPAC name of 2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene (CID 114876229) is 2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene.
What is the SMILES notation for 2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene?
The canonical SMILES for 2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene is CCC(C)CC(Br)c1cc(Br)c(Br)s1.
What is the InChIKey of 2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene?
The InChIKey is LKQRKJIZKBJEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br3S/c1-3-6(2)4-7(11)9-5-8(12)10(13)14-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene?
2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene has a molecular weight of 404.99 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene is sourced from PubChem (CID 114876229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).