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

C10H15BrS — CID 146378225

IUPAC2-bromo-5-(2-methylpentan-2-yl)thiophene
SMILESCCCC(C)(C)c1ccc(Br)s1
InChIInChI=1S/C10H15BrS/c1-4-7-10(2,3)8-5-6-9(11)12-8/h5-6H,4,7H2,1-3H3
InChIKeyKKQQCRBHLLBAHB-UHFFFAOYSA-N
MW247.20 g/mol
LogP4.59
Rot. Bonds3

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

2-bromo-5-(2-methylpentan-2-yl)thiophene (PubChem CID 146378225) has the molecular formula C10H15BrS and a molecular weight of 247.20 g/mol. Its IUPAC name is 2-bromo-5-(2-methylpentan-2-yl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(2-methylpentan-2-yl)thiophene
PubChem CID146378225
Molecular FormulaC10H15BrS
Molecular Weight247.20 g/mol
Exact Mass246.01
IUPAC Name2-bromo-5-(2-methylpentan-2-yl)thiophene
SMILESCCCC(C)(C)c1ccc(Br)s1
InChIInChI=1S/C10H15BrS/c1-4-7-10(2,3)8-5-6-9(11)12-8/h5-6H,4,7H2,1-3H3
InChIKeyKKQQCRBHLLBAHB-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methylpentan-2-yl)thiophene?
The IUPAC name of 2-bromo-5-(2-methylpentan-2-yl)thiophene (CID 146378225) is 2-bromo-5-(2-methylpentan-2-yl)thiophene.
What is the SMILES notation for 2-bromo-5-(2-methylpentan-2-yl)thiophene?
The canonical SMILES for 2-bromo-5-(2-methylpentan-2-yl)thiophene is CCCC(C)(C)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-methylpentan-2-yl)thiophene?
The InChIKey is KKQQCRBHLLBAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrS/c1-4-7-10(2,3)8-5-6-9(11)12-8/h5-6H,4,7H2,1-3H3.
What are the key properties of 2-bromo-5-(2-methylpentan-2-yl)thiophene?
2-bromo-5-(2-methylpentan-2-yl)thiophene has a molecular weight of 247.20 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methylpentan-2-yl)thiophene is sourced from PubChem (CID 146378225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).