2-bromo-3-butylthiophene

C8H11BrS — CID 15354891

IUPAC2-bromo-3-butylthiophene
SMILESCCCCc1ccsc1Br
InChIInChI=1S/C8H11BrS/c1-2-3-4-7-5-6-10-8(7)9/h5-6H,2-4H2,1H3
InChIKeyKNBLITSBUDZSJW-UHFFFAOYSA-N
MW219.15 g/mol
LogP3.85
Rot. Bonds3

About 2-bromo-3-butylthiophene

2-bromo-3-butylthiophene (PubChem CID 15354891) has the molecular formula C8H11BrS and a molecular weight of 219.15 g/mol. Its IUPAC name is 2-bromo-3-butylthiophene.

Molecular Properties

Compound Name2-bromo-3-butylthiophene
PubChem CID15354891
Molecular FormulaC8H11BrS
Molecular Weight219.15 g/mol
Exact Mass217.98
IUPAC Name2-bromo-3-butylthiophene
SMILESCCCCc1ccsc1Br
InChIInChI=1S/C8H11BrS/c1-2-3-4-7-5-6-10-8(7)9/h5-6H,2-4H2,1H3
InChIKeyKNBLITSBUDZSJW-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-butylthiophene?
The IUPAC name of 2-bromo-3-butylthiophene (CID 15354891) is 2-bromo-3-butylthiophene.
What is the SMILES notation for 2-bromo-3-butylthiophene?
The canonical SMILES for 2-bromo-3-butylthiophene is CCCCc1ccsc1Br.
What is the InChIKey of 2-bromo-3-butylthiophene?
The InChIKey is KNBLITSBUDZSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrS/c1-2-3-4-7-5-6-10-8(7)9/h5-6H,2-4H2,1H3.
What are the key properties of 2-bromo-3-butylthiophene?
2-bromo-3-butylthiophene has a molecular weight of 219.15 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-butylthiophene is sourced from PubChem (CID 15354891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).