3-bromo-2-phenylthiophene

C10H7BrS — CID 11481827

IUPAC3-bromo-2-phenylthiophene
SMILESBrc1ccsc1-c1ccccc1
InChIInChI=1S/C10H7BrS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h1-7H
InChIKeyHQSWHMYDUWHRIX-UHFFFAOYSA-N
MW239.14 g/mol
LogP4.18
Rot. Bonds1

About 3-bromo-2-phenylthiophene

3-bromo-2-phenylthiophene (PubChem CID 11481827) has the molecular formula C10H7BrS and a molecular weight of 239.14 g/mol. Its IUPAC name is 3-bromo-2-phenylthiophene.

Molecular Properties

Compound Name3-bromo-2-phenylthiophene
PubChem CID11481827
Molecular FormulaC10H7BrS
Molecular Weight239.14 g/mol
Exact Mass237.95
IUPAC Name3-bromo-2-phenylthiophene
SMILESBrc1ccsc1-c1ccccc1
InChIInChI=1S/C10H7BrS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h1-7H
InChIKeyHQSWHMYDUWHRIX-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenylthiophene?
The IUPAC name of 3-bromo-2-phenylthiophene (CID 11481827) is 3-bromo-2-phenylthiophene.
What is the SMILES notation for 3-bromo-2-phenylthiophene?
The canonical SMILES for 3-bromo-2-phenylthiophene is Brc1ccsc1-c1ccccc1.
What is the InChIKey of 3-bromo-2-phenylthiophene?
The InChIKey is HQSWHMYDUWHRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3-bromo-2-phenylthiophene?
3-bromo-2-phenylthiophene has a molecular weight of 239.14 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenylthiophene is sourced from PubChem (CID 11481827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).