(NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine

C6H6BrNOS — CID 6370937

IUPAC(NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(Br)s1
InChIInChI=1S/C6H6BrNOS/c1-4(8-9)5-2-3-6(7)10-5/h2-3,9H,1H3/b8-4-
InChIKeyGGNDYUAZNCRVDC-YWEYNIOJSA-N
MW220.09 g/mol
LogP2.71
Rot. Bonds1

About (NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine

(NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine (PubChem CID 6370937) has the molecular formula C6H6BrNOS and a molecular weight of 220.09 g/mol. Its IUPAC name is (NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine
PubChem CID6370937
Molecular FormulaC6H6BrNOS
Molecular Weight220.09 g/mol
Exact Mass218.94
IUPAC Name(NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(Br)s1
InChIInChI=1S/C6H6BrNOS/c1-4(8-9)5-2-3-6(7)10-5/h2-3,9H,1H3/b8-4-
InChIKeyGGNDYUAZNCRVDC-YWEYNIOJSA-N
XLogP2.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine (CID 6370937) is (NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine is C/C(=N/O)c1ccc(Br)s1.
What is the InChIKey of (NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine?
The InChIKey is GGNDYUAZNCRVDC-YWEYNIOJSA-N. The full InChI is InChI=1S/C6H6BrNOS/c1-4(8-9)5-2-3-6(7)10-5/h2-3,9H,1H3/b8-4-.
What are the key properties of (NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine?
(NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine has a molecular weight of 220.09 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 6370937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).