3,5-dibromo-2-phenylthiophene

C10H6Br2S — CID 901464

IUPAC3,5-dibromo-2-phenylthiophene
SMILESBrc1cc(Br)c(-c2ccccc2)s1
InChIInChI=1S/C10H6Br2S/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7/h1-6H
InChIKeyKCGLFMLIVPCPPC-UHFFFAOYSA-N
MW318.03 g/mol
LogP4.94
Rot. Bonds1

About 3,5-dibromo-2-phenylthiophene

3,5-dibromo-2-phenylthiophene (PubChem CID 901464) has the molecular formula C10H6Br2S and a molecular weight of 318.03 g/mol. Its IUPAC name is 3,5-dibromo-2-phenylthiophene.

Molecular Properties

Compound Name3,5-dibromo-2-phenylthiophene
PubChem CID901464
Molecular FormulaC10H6Br2S
Molecular Weight318.03 g/mol
Exact Mass315.86
IUPAC Name3,5-dibromo-2-phenylthiophene
SMILESBrc1cc(Br)c(-c2ccccc2)s1
InChIInChI=1S/C10H6Br2S/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7/h1-6H
InChIKeyKCGLFMLIVPCPPC-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.03
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-phenylthiophene?
The IUPAC name of 3,5-dibromo-2-phenylthiophene (CID 901464) is 3,5-dibromo-2-phenylthiophene.
What is the SMILES notation for 3,5-dibromo-2-phenylthiophene?
The canonical SMILES for 3,5-dibromo-2-phenylthiophene is Brc1cc(Br)c(-c2ccccc2)s1.
What is the InChIKey of 3,5-dibromo-2-phenylthiophene?
The InChIKey is KCGLFMLIVPCPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2S/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 3,5-dibromo-2-phenylthiophene?
3,5-dibromo-2-phenylthiophene has a molecular weight of 318.03 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-phenylthiophene is sourced from PubChem (CID 901464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).