N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine

C5H4BrNOS — CID 678517

IUPACN-[(4-bromothiophen-2-yl)methylidene]hydroxylamine
SMILESON=Cc1cc(Br)cs1
InChIInChI=1S/C5H4BrNOS/c6-4-1-5(2-7-8)9-3-4/h1-3,8H
InChIKeyPKYPVSRCCJULBD-UHFFFAOYSA-N
MW206.06 g/mol
LogP2.32
Rot. Bonds1

About N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine

N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine (PubChem CID 678517) has the molecular formula C5H4BrNOS and a molecular weight of 206.06 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methylidene]hydroxylamine
PubChem CID678517
Molecular FormulaC5H4BrNOS
Molecular Weight206.06 g/mol
Exact Mass204.92
IUPAC NameN-[(4-bromothiophen-2-yl)methylidene]hydroxylamine
SMILESON=Cc1cc(Br)cs1
InChIInChI=1S/C5H4BrNOS/c6-4-1-5(2-7-8)9-3-4/h1-3,8H
InChIKeyPKYPVSRCCJULBD-UHFFFAOYSA-N
XLogP2.32
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.06
LogP ≤ 52.32
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 N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine (CID 678517) is N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine is ON=Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine?
The InChIKey is PKYPVSRCCJULBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNOS/c6-4-1-5(2-7-8)9-3-4/h1-3,8H.
What are the key properties of N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine?
N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine has a molecular weight of 206.06 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 678517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).