2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene

C12H9Br2ClS — CID 107965739

IUPAC2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene
SMILESClC(Cc1ccc(Br)cc1)c1csc(Br)c1
InChIInChI=1S/C12H9Br2ClS/c13-10-3-1-8(2-4-10)5-11(15)9-6-12(14)16-7-9/h1-4,6-7,11H,5H2
InChIKeyBSQVPAAQQXOVLB-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.80
Rot. Bonds3

About 2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene

2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene (PubChem CID 107965739) has the molecular formula C12H9Br2ClS and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene.

Molecular Properties

Compound Name2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene
PubChem CID107965739
Molecular FormulaC12H9Br2ClS
Molecular Weight380.53 g/mol
Exact Mass377.85
IUPAC Name2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene
SMILESClC(Cc1ccc(Br)cc1)c1csc(Br)c1
InChIInChI=1S/C12H9Br2ClS/c13-10-3-1-8(2-4-10)5-11(15)9-6-12(14)16-7-9/h1-4,6-7,11H,5H2
InChIKeyBSQVPAAQQXOVLB-UHFFFAOYSA-N
XLogP5.80
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 ≤ 55.80
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-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105089162
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
2-bromo-4-[chloro-(2,5-dibromophenyl)methyl]thiophene
CID 107964452
1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene
CID 63520066
2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene
CID 107965781
2-bromo-4-[chloro-(4-ethylphenyl)methyl]thiophene
CID 107964496
3-bromo-2-[2-(4-bromophenyl)-1-chloroethyl]thiophene
CID 63800008
2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
CID 107967285
1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine
CID 105151941
4-[2-(4-bromophenyl)-1-chloroethyl]-1-methoxy-2-methylbenzene
CID 63434623
1-bromo-4-(2,3-dichloropropyl)benzene
CID 86177885
[2-(4-bromophenyl)-1-(5-methylthiophen-3-yl)ethyl]hydrazine
CID 105195665

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene?
The IUPAC name of 2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene (CID 107965739) is 2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene.
What is the SMILES notation for 2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene?
The canonical SMILES for 2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene is ClC(Cc1ccc(Br)cc1)c1csc(Br)c1.
What is the InChIKey of 2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene?
The InChIKey is BSQVPAAQQXOVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClS/c13-10-3-1-8(2-4-10)5-11(15)9-6-12(14)16-7-9/h1-4,6-7,11H,5H2.
What are the key properties of 2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene?
2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene has a molecular weight of 380.53 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene is sourced from PubChem (CID 107965739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).