3-(6-bromohexyl)thiophene

C10H15BrS — CID 11447992

IUPAC3-(6-bromohexyl)thiophene
SMILESBrCCCCCCc1ccsc1
InChIInChI=1S/C10H15BrS/c11-7-4-2-1-3-5-10-6-8-12-9-10/h6,8-9H,1-5,7H2
InChIKeyGYLQGNOVNHZKCY-UHFFFAOYSA-N
MW247.20 g/mol
LogP4.25
Rot. Bonds6

About 3-(6-bromohexyl)thiophene

3-(6-bromohexyl)thiophene (PubChem CID 11447992) has the molecular formula C10H15BrS and a molecular weight of 247.20 g/mol. Its IUPAC name is 3-(6-bromohexyl)thiophene.

Molecular Properties

Compound Name3-(6-bromohexyl)thiophene
PubChem CID11447992
Molecular FormulaC10H15BrS
Molecular Weight247.20 g/mol
Exact Mass246.01
IUPAC Name3-(6-bromohexyl)thiophene
SMILESBrCCCCCCc1ccsc1
InChIInChI=1S/C10H15BrS/c11-7-4-2-1-3-5-10-6-8-12-9-10/h6,8-9H,1-5,7H2
InChIKeyGYLQGNOVNHZKCY-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-heptylthiophene;3-hexylthiophene
CID 159152668
12-thiophen-3-yldodecan-1-ol
CID 67533520
12-thiophen-3-yldodecane-1-thiol
CID 71363861
4-thiophen-3-ylbutan-1-ol
CID 54222621
trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide
CID 161494659
3-(6,6-dimethylheptyl)thiophene
CID 174801737
3-hexadec-15-enylthiophene
CID 139794200
azane;3-(6,6-dimethylheptyl)thiophene
CID 174801736
3-(5-bromohexyl)thiophene
CID 64506689
6-thiophen-3-ylhexanoic acid
CID 24722734
5-thiophen-3-ylpentanal
CID 15807672
3-heptylthiophene;oxaldehyde
CID 175169306

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromohexyl)thiophene?
The IUPAC name of 3-(6-bromohexyl)thiophene (CID 11447992) is 3-(6-bromohexyl)thiophene.
What is the SMILES notation for 3-(6-bromohexyl)thiophene?
The canonical SMILES for 3-(6-bromohexyl)thiophene is BrCCCCCCc1ccsc1.
What is the InChIKey of 3-(6-bromohexyl)thiophene?
The InChIKey is GYLQGNOVNHZKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrS/c11-7-4-2-1-3-5-10-6-8-12-9-10/h6,8-9H,1-5,7H2.
What are the key properties of 3-(6-bromohexyl)thiophene?
3-(6-bromohexyl)thiophene has a molecular weight of 247.20 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromohexyl)thiophene is sourced from PubChem (CID 11447992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).