2-bromo-3-hexyl-5-iodothiophene

C10H14BrIS — CID 11474236

IUPAC2-bromo-3-hexyl-5-iodothiophene
SMILESCCCCCCc1cc(I)sc1Br
InChIInChI=1S/C10H14BrIS/c1-2-3-4-5-6-8-7-9(12)13-10(8)11/h7H,2-6H2,1H3
InChIKeySDMKEQYHISDGKT-UHFFFAOYSA-N
MW373.10 g/mol
LogP5.24
Rot. Bonds5

About 2-bromo-3-hexyl-5-iodothiophene

2-bromo-3-hexyl-5-iodothiophene (PubChem CID 11474236) has the molecular formula C10H14BrIS and a molecular weight of 373.10 g/mol. Its IUPAC name is 2-bromo-3-hexyl-5-iodothiophene.

Molecular Properties

Compound Name2-bromo-3-hexyl-5-iodothiophene
PubChem CID11474236
Molecular FormulaC10H14BrIS
Molecular Weight373.10 g/mol
Exact Mass371.90
IUPAC Name2-bromo-3-hexyl-5-iodothiophene
SMILESCCCCCCc1cc(I)sc1Br
InChIInChI=1S/C10H14BrIS/c1-2-3-4-5-6-8-7-9(12)13-10(8)11/h7H,2-6H2,1H3
InChIKeySDMKEQYHISDGKT-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.10
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-hexyl-5-iodothiophene?
The IUPAC name of 2-bromo-3-hexyl-5-iodothiophene (CID 11474236) is 2-bromo-3-hexyl-5-iodothiophene.
What is the SMILES notation for 2-bromo-3-hexyl-5-iodothiophene?
The canonical SMILES for 2-bromo-3-hexyl-5-iodothiophene is CCCCCCc1cc(I)sc1Br.
What is the InChIKey of 2-bromo-3-hexyl-5-iodothiophene?
The InChIKey is SDMKEQYHISDGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrIS/c1-2-3-4-5-6-8-7-9(12)13-10(8)11/h7H,2-6H2,1H3.
What are the key properties of 2-bromo-3-hexyl-5-iodothiophene?
2-bromo-3-hexyl-5-iodothiophene has a molecular weight of 373.10 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-hexyl-5-iodothiophene is sourced from PubChem (CID 11474236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).