5-bromo-2-thiophen-2-ylsulfanylaniline

C10H8BrNS2 — CID 28602794

IUPAC5-bromo-2-thiophen-2-ylsulfanylaniline
SMILESNc1cc(Br)ccc1Sc1cccs1
InChIInChI=1S/C10H8BrNS2/c11-7-3-4-9(8(12)6-7)14-10-2-1-5-13-10/h1-6H,12H2
InChIKeyFBPBKTZLZAXTBL-UHFFFAOYSA-N
MW286.22 g/mol
LogP4.24
Rot. Bonds2

About 5-bromo-2-thiophen-2-ylsulfanylaniline

5-bromo-2-thiophen-2-ylsulfanylaniline (PubChem CID 28602794) has the molecular formula C10H8BrNS2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 5-bromo-2-thiophen-2-ylsulfanylaniline.

Molecular Properties

Compound Name5-bromo-2-thiophen-2-ylsulfanylaniline
PubChem CID28602794
Molecular FormulaC10H8BrNS2
Molecular Weight286.22 g/mol
Exact Mass284.93
IUPAC Name5-bromo-2-thiophen-2-ylsulfanylaniline
SMILESNc1cc(Br)ccc1Sc1cccs1
InChIInChI=1S/C10H8BrNS2/c11-7-3-4-9(8(12)6-7)14-10-2-1-5-13-10/h1-6H,12H2
InChIKeyFBPBKTZLZAXTBL-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-thiophen-2-ylsulfanylaniline?
The IUPAC name of 5-bromo-2-thiophen-2-ylsulfanylaniline (CID 28602794) is 5-bromo-2-thiophen-2-ylsulfanylaniline.
What is the SMILES notation for 5-bromo-2-thiophen-2-ylsulfanylaniline?
The canonical SMILES for 5-bromo-2-thiophen-2-ylsulfanylaniline is Nc1cc(Br)ccc1Sc1cccs1.
What is the InChIKey of 5-bromo-2-thiophen-2-ylsulfanylaniline?
The InChIKey is FBPBKTZLZAXTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNS2/c11-7-3-4-9(8(12)6-7)14-10-2-1-5-13-10/h1-6H,12H2.
What are the key properties of 5-bromo-2-thiophen-2-ylsulfanylaniline?
5-bromo-2-thiophen-2-ylsulfanylaniline has a molecular weight of 286.22 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-thiophen-2-ylsulfanylaniline is sourced from PubChem (CID 28602794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).