2-bromo-5-(5-hexylthiophen-2-yl)thiophene

C14H17BrS2 — CID 59752457

IUPAC2-bromo-5-(5-hexylthiophen-2-yl)thiophene
SMILESCCCCCCc1ccc(-c2ccc(Br)s2)s1
InChIInChI=1S/C14H17BrS2/c1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h7-10H,2-6H2,1H3
InChIKeyQNMUCNVCVAUOQU-UHFFFAOYSA-N
MW329.33 g/mol
LogP6.36
Rot. Bonds6

About 2-bromo-5-(5-hexylthiophen-2-yl)thiophene

2-bromo-5-(5-hexylthiophen-2-yl)thiophene (PubChem CID 59752457) has the molecular formula C14H17BrS2 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-bromo-5-(5-hexylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(5-hexylthiophen-2-yl)thiophene
PubChem CID59752457
Molecular FormulaC14H17BrS2
Molecular Weight329.33 g/mol
Exact Mass328.00
IUPAC Name2-bromo-5-(5-hexylthiophen-2-yl)thiophene
SMILESCCCCCCc1ccc(-c2ccc(Br)s2)s1
InChIInChI=1S/C14H17BrS2/c1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h7-10H,2-6H2,1H3
InChIKeyQNMUCNVCVAUOQU-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.33
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-hexylthiophen-2-yl)thiophene?
The IUPAC name of 2-bromo-5-(5-hexylthiophen-2-yl)thiophene (CID 59752457) is 2-bromo-5-(5-hexylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-bromo-5-(5-hexylthiophen-2-yl)thiophene?
The canonical SMILES for 2-bromo-5-(5-hexylthiophen-2-yl)thiophene is CCCCCCc1ccc(-c2ccc(Br)s2)s1.
What is the InChIKey of 2-bromo-5-(5-hexylthiophen-2-yl)thiophene?
The InChIKey is QNMUCNVCVAUOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrS2/c1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h7-10H,2-6H2,1H3.
What are the key properties of 2-bromo-5-(5-hexylthiophen-2-yl)thiophene?
2-bromo-5-(5-hexylthiophen-2-yl)thiophene has a molecular weight of 329.33 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-hexylthiophen-2-yl)thiophene is sourced from PubChem (CID 59752457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).