N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine

C9H7NOS2 — CID 2739836

IUPACN-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine
SMILESON=Cc1ccc(-c2cccs2)s1
InChIInChI=1S/C9H7NOS2/c11-10-6-7-3-4-9(13-7)8-2-1-5-12-8/h1-6,11H
InChIKeyJGJDBQGWTDEWKE-UHFFFAOYSA-N
MW209.30 g/mol
LogP3.28
Rot. Bonds2

About N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine

N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine (PubChem CID 2739836) has the molecular formula C9H7NOS2 and a molecular weight of 209.30 g/mol. Its IUPAC name is N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine
PubChem CID2739836
Molecular FormulaC9H7NOS2
Molecular Weight209.30 g/mol
Exact Mass209.00
IUPAC NameN-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine
SMILESON=Cc1ccc(-c2cccs2)s1
InChIInChI=1S/C9H7NOS2/c11-10-6-7-3-4-9(13-7)8-2-1-5-12-8/h1-6,11H
InChIKeyJGJDBQGWTDEWKE-UHFFFAOYSA-N
XLogP3.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine (CID 2739836) is N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine is ON=Cc1ccc(-c2cccs2)s1.
What is the InChIKey of N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine?
The InChIKey is JGJDBQGWTDEWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS2/c11-10-6-7-3-4-9(13-7)8-2-1-5-12-8/h1-6,11H.
What are the key properties of N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine?
N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine has a molecular weight of 209.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 2739836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).