3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene

C10H12Br2S — CID 116540743

IUPAC3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene
SMILESCC1(c2cscc2Br)CCC(Br)C1
InChIInChI=1S/C10H12Br2S/c1-10(3-2-7(11)4-10)8-5-13-6-9(8)12/h5-7H,2-4H2,1H3
InChIKeyHKQPUNVTHCEEMT-UHFFFAOYSA-N
MW324.08 g/mol
LogP4.72
Rot. Bonds1

About 3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene

3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene (PubChem CID 116540743) has the molecular formula C10H12Br2S and a molecular weight of 324.08 g/mol. Its IUPAC name is 3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene.

Molecular Properties

Compound Name3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene
PubChem CID116540743
Molecular FormulaC10H12Br2S
Molecular Weight324.08 g/mol
Exact Mass321.90
IUPAC Name3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene
SMILESCC1(c2cscc2Br)CCC(Br)C1
InChIInChI=1S/C10H12Br2S/c1-10(3-2-7(11)4-10)8-5-13-6-9(8)12/h5-7H,2-4H2,1H3
InChIKeyHKQPUNVTHCEEMT-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.08
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene?
The IUPAC name of 3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene (CID 116540743) is 3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene.
What is the SMILES notation for 3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene?
The canonical SMILES for 3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene is CC1(c2cscc2Br)CCC(Br)C1.
What is the InChIKey of 3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene?
The InChIKey is HKQPUNVTHCEEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2S/c1-10(3-2-7(11)4-10)8-5-13-6-9(8)12/h5-7H,2-4H2,1H3.
What are the key properties of 3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene?
3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene has a molecular weight of 324.08 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene is sourced from PubChem (CID 116540743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).