2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene

C12H8Br4S — CID 80534268

IUPAC2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene
SMILESBrc1ccc(CC(Br)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C12H8Br4S/c13-8-3-1-7(2-4-8)5-9(14)11-6-10(15)12(16)17-11/h1-4,6,9H,5H2
InChIKeyUTUFWRVBPQVVKY-UHFFFAOYSA-N
MW503.88 g/mol
LogP6.71
Rot. Bonds3

About 2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene

2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene (PubChem CID 80534268) has the molecular formula C12H8Br4S and a molecular weight of 503.88 g/mol. Its IUPAC name is 2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene
PubChem CID80534268
Molecular FormulaC12H8Br4S
Molecular Weight503.88 g/mol
Exact Mass499.71
IUPAC Name2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene
SMILESBrc1ccc(CC(Br)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C12H8Br4S/c13-8-3-1-7(2-4-8)5-9(14)11-6-10(15)12(16)17-11/h1-4,6,9H,5H2
InChIKeyUTUFWRVBPQVVKY-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.88
LogP ≤ 56.71
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

3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
CID 102836965
4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
CID 80538074
2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 80532924
2,3-dibromo-5-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 80534250
2,3-dibromo-5-[1-bromo-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534309
2,3-dibromo-5-[1-bromo-3-(4-methoxyphenyl)propyl]thiophene
CID 80534563
1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene
CID 81308421
2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine
CID 80538075
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 80535664
(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol
CID 80537480
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 80532976

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene (CID 80534268) is 2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene is Brc1ccc(CC(Br)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene?
The InChIKey is UTUFWRVBPQVVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br4S/c13-8-3-1-7(2-4-8)5-9(14)11-6-10(15)12(16)17-11/h1-4,6,9H,5H2.
What are the key properties of 2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene?
2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene has a molecular weight of 503.88 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene is sourced from PubChem (CID 80534268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).