3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene

C12H8Br3ClS — CID 102836965

IUPAC3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
SMILESClc1sc(C(Br)Cc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C12H8Br3ClS/c13-8-3-1-7(2-4-8)5-9(14)11-6-10(15)12(16)17-11/h1-4,6,9H,5H2
InChIKeyXFTPPNDWCQFXGC-UHFFFAOYSA-N
MW459.43 g/mol
LogP6.61
Rot. Bonds3

About 3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene

3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene (PubChem CID 102836965) has the molecular formula C12H8Br3ClS and a molecular weight of 459.43 g/mol. Its IUPAC name is 3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene.

Molecular Properties

Compound Name3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
PubChem CID102836965
Molecular FormulaC12H8Br3ClS
Molecular Weight459.43 g/mol
Exact Mass455.76
IUPAC Name3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
SMILESClc1sc(C(Br)Cc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C12H8Br3ClS/c13-8-3-1-7(2-4-8)5-9(14)11-6-10(15)12(16)17-11/h1-4,6,9H,5H2
InChIKeyXFTPPNDWCQFXGC-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.43
LogP ≤ 56.61
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

1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220
2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene
CID 80534268
3-bromo-5-[1-bromo-2-(2,6-difluorophenyl)ethyl]-2-chlorothiophene
CID 102836863
2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene
CID 107993393
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 102829878
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol
CID 102830173
1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene
CID 81308421
5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-chloro-3-methylthiophene
CID 102764977
3-bromo-5-[2-(3-bromophenyl)-1-chloroethyl]-2-chlorothiophene
CID 102836380
2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine
CID 102763560
4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
CID 80538074

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene?
The IUPAC name of 3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene (CID 102836965) is 3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene.
What is the SMILES notation for 3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene?
The canonical SMILES for 3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene is Clc1sc(C(Br)Cc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene?
The InChIKey is XFTPPNDWCQFXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3ClS/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 3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene?
3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene has a molecular weight of 459.43 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene is sourced from PubChem (CID 102836965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).