2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene

C8H8Br2S — CID 82094488

IUPAC2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene
SMILESBrCC/C=C/c1ccc(Br)s1
InChIInChI=1S/C8H8Br2S/c9-6-2-1-3-7-4-5-8(10)11-7/h1,3-5H,2,6H2/b3-1+
InChIKeyRRLJVSUDDIRMBE-HNQUOIGGSA-N
MW296.03 g/mol
LogP4.31
Rot. Bonds3

About 2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene

2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene (PubChem CID 82094488) has the molecular formula C8H8Br2S and a molecular weight of 296.03 g/mol. Its IUPAC name is 2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene
PubChem CID82094488
Molecular FormulaC8H8Br2S
Molecular Weight296.03 g/mol
Exact Mass293.87
IUPAC Name2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene
SMILESBrCC/C=C/c1ccc(Br)s1
InChIInChI=1S/C8H8Br2S/c9-6-2-1-3-7-4-5-8(10)11-7/h1,3-5H,2,6H2/b3-1+
InChIKeyRRLJVSUDDIRMBE-HNQUOIGGSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.03
LogP ≤ 54.31
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

2-bromo-5-[(E)-but-1-enyl]thiophene
CID 58787087
N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine
CID 79346871
N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide
CID 169466781
4-(5-chlorothiophen-2-yl)but-3-ene-1-thiol
CID 170477695
(E)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 43236333
2-bromo-5-(2-nitroethenyl)thiophene
CID 54399398
4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene
CID 170498473
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene
CID 14696263
(2-amino-2-oxoethyl) (E)-3-(5-bromothiophen-2-yl)prop-2-enoate
CID 7712568
(E)-3-(5-bromothiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)prop-2-enamide
CID 102914567
1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene
CID 170498464
(E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide
CID 9442219

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene?
The IUPAC name of 2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene (CID 82094488) is 2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene.
What is the SMILES notation for 2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene?
The canonical SMILES for 2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene is BrCC/C=C/c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene?
The InChIKey is RRLJVSUDDIRMBE-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H8Br2S/c9-6-2-1-3-7-4-5-8(10)11-7/h1,3-5H,2,6H2/b3-1+.
What are the key properties of 2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene?
2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene has a molecular weight of 296.03 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene is sourced from PubChem (CID 82094488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).