2,5-dibromo-3-methyl-4-phenylthiophene

C11H8Br2S — CID 2801735

IUPAC2,5-dibromo-3-methyl-4-phenylthiophene
SMILESCc1c(Br)sc(Br)c1-c1ccccc1
InChIInChI=1S/C11H8Br2S/c1-7-9(11(13)14-10(7)12)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyMWTLUBHBVXUJMU-UHFFFAOYSA-N
MW332.06 g/mol
LogP5.25
Rot. Bonds1

About 2,5-dibromo-3-methyl-4-phenylthiophene

2,5-dibromo-3-methyl-4-phenylthiophene (PubChem CID 2801735) has the molecular formula C11H8Br2S and a molecular weight of 332.06 g/mol. Its IUPAC name is 2,5-dibromo-3-methyl-4-phenylthiophene.

Molecular Properties

Compound Name2,5-dibromo-3-methyl-4-phenylthiophene
PubChem CID2801735
Molecular FormulaC11H8Br2S
Molecular Weight332.06 g/mol
Exact Mass329.87
IUPAC Name2,5-dibromo-3-methyl-4-phenylthiophene
SMILESCc1c(Br)sc(Br)c1-c1ccccc1
InChIInChI=1S/C11H8Br2S/c1-7-9(11(13)14-10(7)12)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyMWTLUBHBVXUJMU-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.06
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-methyl-4-phenylthiophene?
The IUPAC name of 2,5-dibromo-3-methyl-4-phenylthiophene (CID 2801735) is 2,5-dibromo-3-methyl-4-phenylthiophene.
What is the SMILES notation for 2,5-dibromo-3-methyl-4-phenylthiophene?
The canonical SMILES for 2,5-dibromo-3-methyl-4-phenylthiophene is Cc1c(Br)sc(Br)c1-c1ccccc1.
What is the InChIKey of 2,5-dibromo-3-methyl-4-phenylthiophene?
The InChIKey is MWTLUBHBVXUJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2S/c1-7-9(11(13)14-10(7)12)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 2,5-dibromo-3-methyl-4-phenylthiophene?
2,5-dibromo-3-methyl-4-phenylthiophene has a molecular weight of 332.06 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-methyl-4-phenylthiophene is sourced from PubChem (CID 2801735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).