2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene

C14H19BrS2 — CID 90159674

IUPAC2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene
SMILESCCCCCCC1CC=C(c2ccc(Br)s2)S1
InChIInChI=1S/C14H19BrS2/c1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h8-11H,2-7H2,1H3
InChIKeyQFPLANXQGGLAKG-UHFFFAOYSA-N
MW331.34 g/mol
LogP6.33
Rot. Bonds6

About 2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene

2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene (PubChem CID 90159674) has the molecular formula C14H19BrS2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene
PubChem CID90159674
Molecular FormulaC14H19BrS2
Molecular Weight331.34 g/mol
Exact Mass330.01
IUPAC Name2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene
SMILESCCCCCCC1CC=C(c2ccc(Br)s2)S1
InChIInChI=1S/C14H19BrS2/c1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h8-11H,2-7H2,1H3
InChIKeyQFPLANXQGGLAKG-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.34
LogP ≤ 56.33
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-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene?
The IUPAC name of 2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene (CID 90159674) is 2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene.
What is the SMILES notation for 2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene?
The canonical SMILES for 2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene is CCCCCCC1CC=C(c2ccc(Br)s2)S1.
What is the InChIKey of 2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene?
The InChIKey is QFPLANXQGGLAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrS2/c1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h8-11H,2-7H2,1H3.
What are the key properties of 2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene?
2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene has a molecular weight of 331.34 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene is sourced from PubChem (CID 90159674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).