3,4-dibromothiophene

C4H2Br2S — CID 18452

IUPAC3,4-dibromothiophene
SMILESBrc1cscc1Br
InChIInChI=1S/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H
InChIKeyVGKLVWTVCUDISO-UHFFFAOYSA-N
MW241.94 g/mol
LogP3.27
Rot. Bonds

About 3,4-dibromothiophene

3,4-dibromothiophene (PubChem CID 18452) has the molecular formula C4H2Br2S and a molecular weight of 241.94 g/mol. Its IUPAC name is 3,4-dibromothiophene.

Molecular Properties

Compound Name3,4-dibromothiophene
PubChem CID18452
Molecular FormulaC4H2Br2S
Molecular Weight241.94 g/mol
Exact Mass239.82
IUPAC Name3,4-dibromothiophene
SMILESBrc1cscc1Br
InChIInChI=1S/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H
InChIKeyVGKLVWTVCUDISO-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.94
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Bromothiophene
CID 13383
3-Bromothiophene-4-boronic acid
CID 23005318
2,3-Dibromothiophene
CID 76590
2,3,4-Tribromothiophene
CID 76593
Thiophene, 2,4-dibromo-
CID 2724560
3-Bromo-4-methylthiophene
CID 2734935
3-Bromo-4-(bromomethyl)thiophene
CID 13354759
2,4-Dibromo-3-methylthiophene
CID 14835168
3-Bromo-4-chlorothiophene
CID 12356512
3-Bromo-4-iodothiophene
CID 12624183
Thiophene, 3,3'-thiobis(4-bromo-
CID 141422
3-Bromo-4-(ethylsulfanyl)thiophene
CID 13155870

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromothiophene?
The IUPAC name of 3,4-dibromothiophene (CID 18452) is 3,4-dibromothiophene.
What is the SMILES notation for 3,4-dibromothiophene?
The canonical SMILES for 3,4-dibromothiophene is Brc1cscc1Br.
What is the InChIKey of 3,4-dibromothiophene?
The InChIKey is VGKLVWTVCUDISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H.
What are the key properties of 3,4-dibromothiophene?
3,4-dibromothiophene has a molecular weight of 241.94 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromothiophene is sourced from PubChem (CID 18452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).