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

C10H13Br3S — CID 80534571

IUPAC2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene
SMILESCCC(C)(C)C(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br3S/c1-4-10(2,3)8(12)7-5-6(11)9(13)14-7/h5,8H,4H2,1-3H3
InChIKeyIDPUKYMGNULJNT-UHFFFAOYSA-N
MW404.99 g/mol
LogP6.15
Rot. Bonds3

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

2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene (PubChem CID 80534571) has the molecular formula C10H13Br3S and a molecular weight of 404.99 g/mol. Its IUPAC name is 2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene
PubChem CID80534571
Molecular FormulaC10H13Br3S
Molecular Weight404.99 g/mol
Exact Mass401.83
IUPAC Name2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene
SMILESCCC(C)(C)C(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br3S/c1-4-10(2,3)8(12)7-5-6(11)9(13)14-7/h5,8H,4H2,1-3H3
InChIKeyIDPUKYMGNULJNT-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}

Analyze 2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 80533046
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 80534026
2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene
CID 114876229
2,3-dibromo-5-(1-chloro-2,2-dimethylpropyl)thiophene
CID 80534293
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
2,3-dibromo-5-(1-bromododecyl)thiophene
CID 80534369
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
CID 80534570
1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
CID 82985514
2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene
CID 80534268
2,3-dibromo-5-[bromo-(2,3,4,5,6-pentamethylphenyl)methyl]thiophene
CID 80538848
3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene
CID 102837073

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene?
The IUPAC name of 2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene (CID 80534571) is 2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene.
What is the SMILES notation for 2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene?
The canonical SMILES for 2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene is CCC(C)(C)C(Br)c1cc(Br)c(Br)s1.
What is the InChIKey of 2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene?
The InChIKey is IDPUKYMGNULJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br3S/c1-4-10(2,3)8(12)7-5-6(11)9(13)14-7/h5,8H,4H2,1-3H3.
What are the key properties of 2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene?
2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene has a molecular weight of 404.99 g/mol, XLogP of 6.15, 3 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-2,2-dimethylbutyl)thiophene is sourced from PubChem (CID 80534571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).