2,3,5-tribromo-4-(6-bromohexyl)thiophene

C10H12Br4S — CID 71403505

IUPAC2,3,5-tribromo-4-(6-bromohexyl)thiophene
SMILESBrCCCCCCc1c(Br)sc(Br)c1Br
InChIInChI=1S/C10H12Br4S/c11-6-4-2-1-3-5-7-8(12)10(14)15-9(7)13/h1-6H2
InChIKeyGKDOXSUCLRDKNP-UHFFFAOYSA-N
MW483.89 g/mol
LogP6.53
Rot. Bonds6

About 2,3,5-tribromo-4-(6-bromohexyl)thiophene

2,3,5-tribromo-4-(6-bromohexyl)thiophene (PubChem CID 71403505) has the molecular formula C10H12Br4S and a molecular weight of 483.89 g/mol. Its IUPAC name is 2,3,5-tribromo-4-(6-bromohexyl)thiophene.

Molecular Properties

Compound Name2,3,5-tribromo-4-(6-bromohexyl)thiophene
PubChem CID71403505
Molecular FormulaC10H12Br4S
Molecular Weight483.89 g/mol
Exact Mass479.74
IUPAC Name2,3,5-tribromo-4-(6-bromohexyl)thiophene
SMILESBrCCCCCCc1c(Br)sc(Br)c1Br
InChIInChI=1S/C10H12Br4S/c11-6-4-2-1-3-5-7-8(12)10(14)15-9(7)13/h1-6H2
InChIKeyGKDOXSUCLRDKNP-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.89
LogP ≤ 56.53
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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Frequently Asked Questions

What is the IUPAC name of 2,3,5-tribromo-4-(6-bromohexyl)thiophene?
The IUPAC name of 2,3,5-tribromo-4-(6-bromohexyl)thiophene (CID 71403505) is 2,3,5-tribromo-4-(6-bromohexyl)thiophene.
What is the SMILES notation for 2,3,5-tribromo-4-(6-bromohexyl)thiophene?
The canonical SMILES for 2,3,5-tribromo-4-(6-bromohexyl)thiophene is BrCCCCCCc1c(Br)sc(Br)c1Br.
What is the InChIKey of 2,3,5-tribromo-4-(6-bromohexyl)thiophene?
The InChIKey is GKDOXSUCLRDKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br4S/c11-6-4-2-1-3-5-7-8(12)10(14)15-9(7)13/h1-6H2.
What are the key properties of 2,3,5-tribromo-4-(6-bromohexyl)thiophene?
2,3,5-tribromo-4-(6-bromohexyl)thiophene has a molecular weight of 483.89 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tribromo-4-(6-bromohexyl)thiophene is sourced from PubChem (CID 71403505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).