2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene

C12H9Br2ClS — CID 107965781

IUPAC2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene
SMILESClc1ccc(CC(Br)c2csc(Br)c2)cc1
InChIInChI=1S/C12H9Br2ClS/c13-11(9-6-12(14)16-7-9)5-8-1-3-10(15)4-2-8/h1-4,6-7,11H,5H2
InChIKeyQNYXUMQDURNYHG-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.84
Rot. Bonds3

About 2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene

2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene (PubChem CID 107965781) has the molecular formula C12H9Br2ClS and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene.

Molecular Properties

Compound Name2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene
PubChem CID107965781
Molecular FormulaC12H9Br2ClS
Molecular Weight380.53 g/mol
Exact Mass377.85
IUPAC Name2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene
SMILESClc1ccc(CC(Br)c2csc(Br)c2)cc1
InChIInChI=1S/C12H9Br2ClS/c13-11(9-6-12(14)16-7-9)5-8-1-3-10(15)4-2-8/h1-4,6-7,11H,5H2
InChIKeyQNYXUMQDURNYHG-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.84
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

4-[1-bromo-2-(4-chlorophenyl)ethyl]-2-iodothiophene
CID 79691582
1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene
CID 63543130
2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene
CID 107965739
1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-iodobenzene
CID 63543126
4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
CID 107993413
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
CID 63437552
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105089162
2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene
CID 107965768
1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 105076520
2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene
CID 107964544
4-(1-bromo-2-phenylethyl)-2-iodothiophene
CID 79692130

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene?
The IUPAC name of 2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene (CID 107965781) is 2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene.
What is the SMILES notation for 2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene?
The canonical SMILES for 2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene is Clc1ccc(CC(Br)c2csc(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene?
The InChIKey is QNYXUMQDURNYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClS/c13-11(9-6-12(14)16-7-9)5-8-1-3-10(15)4-2-8/h1-4,6-7,11H,5H2.
What are the key properties of 2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene?
2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene has a molecular weight of 380.53 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene is sourced from PubChem (CID 107965781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).