3-(5-bromohexyl)thiophene

C10H15BrS — CID 64506689

IUPAC3-(5-bromohexyl)thiophene
SMILESCC(Br)CCCCc1ccsc1
InChIInChI=1S/C10H15BrS/c1-9(11)4-2-3-5-10-6-7-12-8-10/h6-9H,2-5H2,1H3
InChIKeyFDRMLVNZCHIJQU-UHFFFAOYSA-N
MW247.20 g/mol
LogP4.24
Rot. Bonds5

About 3-(5-bromohexyl)thiophene

3-(5-bromohexyl)thiophene (PubChem CID 64506689) has the molecular formula C10H15BrS and a molecular weight of 247.20 g/mol. Its IUPAC name is 3-(5-bromohexyl)thiophene.

Molecular Properties

Compound Name3-(5-bromohexyl)thiophene
PubChem CID64506689
Molecular FormulaC10H15BrS
Molecular Weight247.20 g/mol
Exact Mass246.01
IUPAC Name3-(5-bromohexyl)thiophene
SMILESCC(Br)CCCCc1ccsc1
InChIInChI=1S/C10H15BrS/c1-9(11)4-2-3-5-10-6-7-12-8-10/h6-9H,2-5H2,1H3
InChIKeyFDRMLVNZCHIJQU-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 54.24
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-(6-bromohexyl)thiophene
CID 11447992
3-heptylthiophene;3-hexylthiophene
CID 159152668
4-thiophen-3-ylbutan-1-ol
CID 54222621
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
12-thiophen-3-yldodecan-1-ol
CID 67533520
12-thiophen-3-yldodecane-1-thiol
CID 71363861
3-(6,6-dimethylheptyl)thiophene
CID 174801737
3-(4-bromo-2-methylpentyl)thiophene
CID 64721699
3-(2-bromoicosyl)thiophene
CID 89438780
1-thiophen-3-ylnonan-3-amine
CID 115857036
1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine
CID 65131707
3-(2-bromotridecyl)thiophene
CID 65428156

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromohexyl)thiophene?
The IUPAC name of 3-(5-bromohexyl)thiophene (CID 64506689) is 3-(5-bromohexyl)thiophene.
What is the SMILES notation for 3-(5-bromohexyl)thiophene?
The canonical SMILES for 3-(5-bromohexyl)thiophene is CC(Br)CCCCc1ccsc1.
What is the InChIKey of 3-(5-bromohexyl)thiophene?
The InChIKey is FDRMLVNZCHIJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrS/c1-9(11)4-2-3-5-10-6-7-12-8-10/h6-9H,2-5H2,1H3.
What are the key properties of 3-(5-bromohexyl)thiophene?
3-(5-bromohexyl)thiophene has a molecular weight of 247.20 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromohexyl)thiophene is sourced from PubChem (CID 64506689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).