3-bromo-4-(bromomethyl)thiophene

C5H4Br2S — CID 13354759

IUPAC3-bromo-4-(bromomethyl)thiophene
SMILESBrCc1cscc1Br
InChIInChI=1S/C5H4Br2S/c6-1-4-2-8-3-5(4)7/h2-3H,1H2
InChIKeyPYHREWOWCJSFSE-UHFFFAOYSA-N
MW255.96 g/mol
LogP3.41
Rot. Bonds1

About 3-bromo-4-(bromomethyl)thiophene

3-bromo-4-(bromomethyl)thiophene (PubChem CID 13354759) has the molecular formula C5H4Br2S and a molecular weight of 255.96 g/mol. Its IUPAC name is 3-bromo-4-(bromomethyl)thiophene.

Molecular Properties

Compound Name3-bromo-4-(bromomethyl)thiophene
PubChem CID13354759
Molecular FormulaC5H4Br2S
Molecular Weight255.96 g/mol
Exact Mass253.84
IUPAC Name3-bromo-4-(bromomethyl)thiophene
SMILESBrCc1cscc1Br
InChIInChI=1S/C5H4Br2S/c6-1-4-2-8-3-5(4)7/h2-3H,1H2
InChIKeyPYHREWOWCJSFSE-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.96
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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methyl 2-(4-bromothiophen-3-yl)acetate
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N-[(4-bromothiophen-3-yl)methyl]but-3-yn-2-amine
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1,4-dibromo-2,5-bis(bromomethyl)benzene
CID 640222
1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea
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CID 131155618
N-[(4-bromothiophen-3-yl)methyl]-2-methoxyethanamine
CID 79595767
2-bromo-N-[(4-bromothiophen-3-yl)methyl]-4,6-dimethylaniline
CID 112739667
5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one
CID 130525277
3-bromo-7-(bromomethyl)-1-benzothiophen-5-ol
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CID 112739671

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(bromomethyl)thiophene?
The IUPAC name of 3-bromo-4-(bromomethyl)thiophene (CID 13354759) is 3-bromo-4-(bromomethyl)thiophene.
What is the SMILES notation for 3-bromo-4-(bromomethyl)thiophene?
The canonical SMILES for 3-bromo-4-(bromomethyl)thiophene is BrCc1cscc1Br.
What is the InChIKey of 3-bromo-4-(bromomethyl)thiophene?
The InChIKey is PYHREWOWCJSFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2S/c6-1-4-2-8-3-5(4)7/h2-3H,1H2.
What are the key properties of 3-bromo-4-(bromomethyl)thiophene?
3-bromo-4-(bromomethyl)thiophene has a molecular weight of 255.96 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(bromomethyl)thiophene is sourced from PubChem (CID 13354759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).