2-(4-bromothiophen-2-yl)aniline

C10H8BrNS — CID 57177797

IUPAC2-(4-bromothiophen-2-yl)aniline
SMILESNc1ccccc1-c1cc(Br)cs1
InChIInChI=1S/C10H8BrNS/c11-7-5-10(13-6-7)8-3-1-2-4-9(8)12/h1-6H,12H2
InChIKeyIBWXODRMYQOFKH-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.76
Rot. Bonds1

About 2-(4-bromothiophen-2-yl)aniline

2-(4-bromothiophen-2-yl)aniline (PubChem CID 57177797) has the molecular formula C10H8BrNS and a molecular weight of 254.15 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)aniline.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)aniline
PubChem CID57177797
Molecular FormulaC10H8BrNS
Molecular Weight254.15 g/mol
Exact Mass252.96
IUPAC Name2-(4-bromothiophen-2-yl)aniline
SMILESNc1ccccc1-c1cc(Br)cs1
InChIInChI=1S/C10H8BrNS/c11-7-5-10(13-6-7)8-3-1-2-4-9(8)12/h1-6H,12H2
InChIKeyIBWXODRMYQOFKH-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)aniline?
The IUPAC name of 2-(4-bromothiophen-2-yl)aniline (CID 57177797) is 2-(4-bromothiophen-2-yl)aniline.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)aniline?
The canonical SMILES for 2-(4-bromothiophen-2-yl)aniline is Nc1ccccc1-c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)aniline?
The InChIKey is IBWXODRMYQOFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNS/c11-7-5-10(13-6-7)8-3-1-2-4-9(8)12/h1-6H,12H2.
What are the key properties of 2-(4-bromothiophen-2-yl)aniline?
2-(4-bromothiophen-2-yl)aniline has a molecular weight of 254.15 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)aniline is sourced from PubChem (CID 57177797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).