2-amino-2-(4-bromothiophen-2-yl)ethanol

C6H8BrNOS — CID 61346030

IUPAC2-amino-2-(4-bromothiophen-2-yl)ethanol
SMILESNC(CO)c1cc(Br)cs1
InChIInChI=1S/C6H8BrNOS/c7-4-1-6(10-3-4)5(8)2-9/h1,3,5,9H,2,8H2
InChIKeyYEKUOYPMPXADTL-UHFFFAOYSA-N
MW222.11 g/mol
LogP1.50
Rot. Bonds2

About 2-amino-2-(4-bromothiophen-2-yl)ethanol

2-amino-2-(4-bromothiophen-2-yl)ethanol (PubChem CID 61346030) has the molecular formula C6H8BrNOS and a molecular weight of 222.11 g/mol. Its IUPAC name is 2-amino-2-(4-bromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-bromothiophen-2-yl)ethanol
PubChem CID61346030
Molecular FormulaC6H8BrNOS
Molecular Weight222.11 g/mol
Exact Mass220.95
IUPAC Name2-amino-2-(4-bromothiophen-2-yl)ethanol
SMILESNC(CO)c1cc(Br)cs1
InChIInChI=1S/C6H8BrNOS/c7-4-1-6(10-3-4)5(8)2-9/h1,3,5,9H,2,8H2
InChIKeyYEKUOYPMPXADTL-UHFFFAOYSA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-bromothiophen-2-yl)ethanol?
The IUPAC name of 2-amino-2-(4-bromothiophen-2-yl)ethanol (CID 61346030) is 2-amino-2-(4-bromothiophen-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(4-bromothiophen-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(4-bromothiophen-2-yl)ethanol is NC(CO)c1cc(Br)cs1.
What is the InChIKey of 2-amino-2-(4-bromothiophen-2-yl)ethanol?
The InChIKey is YEKUOYPMPXADTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNOS/c7-4-1-6(10-3-4)5(8)2-9/h1,3,5,9H,2,8H2.
What are the key properties of 2-amino-2-(4-bromothiophen-2-yl)ethanol?
2-amino-2-(4-bromothiophen-2-yl)ethanol has a molecular weight of 222.11 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-bromothiophen-2-yl)ethanol is sourced from PubChem (CID 61346030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).