2-amino-1-(4-bromothiophen-3-yl)ethanone

C6H6BrNOS — CID 116548455

IUPAC2-amino-1-(4-bromothiophen-3-yl)ethanone
SMILESNCC(=O)c1cscc1Br
InChIInChI=1S/C6H6BrNOS/c7-5-3-10-2-4(5)6(9)1-8/h2-3H,1,8H2
InChIKeyYCDLSSBGRGTQJG-UHFFFAOYSA-N
MW220.09 g/mol
LogP1.65
Rot. Bonds2

About 2-amino-1-(4-bromothiophen-3-yl)ethanone

2-amino-1-(4-bromothiophen-3-yl)ethanone (PubChem CID 116548455) has the molecular formula C6H6BrNOS and a molecular weight of 220.09 g/mol. Its IUPAC name is 2-amino-1-(4-bromothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-bromothiophen-3-yl)ethanone
PubChem CID116548455
Molecular FormulaC6H6BrNOS
Molecular Weight220.09 g/mol
Exact Mass218.94
IUPAC Name2-amino-1-(4-bromothiophen-3-yl)ethanone
SMILESNCC(=O)c1cscc1Br
InChIInChI=1S/C6H6BrNOS/c7-5-3-10-2-4(5)6(9)1-8/h2-3H,1,8H2
InChIKeyYCDLSSBGRGTQJG-UHFFFAOYSA-N
XLogP1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)ethanone?
The IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)ethanone (CID 116548455) is 2-amino-1-(4-bromothiophen-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-bromothiophen-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-bromothiophen-3-yl)ethanone is NCC(=O)c1cscc1Br.
What is the InChIKey of 2-amino-1-(4-bromothiophen-3-yl)ethanone?
The InChIKey is YCDLSSBGRGTQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNOS/c7-5-3-10-2-4(5)6(9)1-8/h2-3H,1,8H2.
What are the key properties of 2-amino-1-(4-bromothiophen-3-yl)ethanone?
2-amino-1-(4-bromothiophen-3-yl)ethanone has a molecular weight of 220.09 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromothiophen-3-yl)ethanone is sourced from PubChem (CID 116548455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).