2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene

C16H11Br3S — CID 81432825

IUPAC2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene
SMILESCc1ccc2ccccc2c1C(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C16H11Br3S/c1-9-6-7-10-4-2-3-5-11(10)14(9)15(18)13-8-12(17)16(19)20-13/h2-8,15H,1H3
InChIKeyWXWYFEPVPAKTTC-UHFFFAOYSA-N
MW475.04 g/mol
LogP7.22
Rot. Bonds2

About 2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene

2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene (PubChem CID 81432825) has the molecular formula C16H11Br3S and a molecular weight of 475.04 g/mol. Its IUPAC name is 2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene
PubChem CID81432825
Molecular FormulaC16H11Br3S
Molecular Weight475.04 g/mol
Exact Mass471.81
IUPAC Name2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene
SMILESCc1ccc2ccccc2c1C(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C16H11Br3S/c1-9-6-7-10-4-2-3-5-11(10)14(9)15(18)13-8-12(17)16(19)20-13/h2-8,15H,1H3
InChIKeyWXWYFEPVPAKTTC-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene (CID 81432825) is 2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene is Cc1ccc2ccccc2c1C(Br)c1cc(Br)c(Br)s1.
What is the InChIKey of 2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene?
The InChIKey is WXWYFEPVPAKTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br3S/c1-9-6-7-10-4-2-3-5-11(10)14(9)15(18)13-8-12(17)16(19)20-13/h2-8,15H,1H3.
What are the key properties of 2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene?
2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene has a molecular weight of 475.04 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene is sourced from PubChem (CID 81432825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).