(NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine

C8H7NOS — CID 177018451

IUPAC(NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine
SMILESO/N=C1\C=c2ccsc2=CC1
InChIInChI=1S/C8H7NOS/c10-9-7-1-2-8-6(5-7)3-4-11-8/h2-5,10H,1H2/b9-7-
InChIKeyQXMRJRUOUBKJOQ-CLFYSBASSA-N
MW165.22 g/mol
LogP0.54
Rot. Bonds

About (NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine

(NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine (PubChem CID 177018451) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is (NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine
PubChem CID177018451
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name(NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine
SMILESO/N=C1\C=c2ccsc2=CC1
InChIInChI=1S/C8H7NOS/c10-9-7-1-2-8-6(5-7)3-4-11-8/h2-5,10H,1H2/b9-7-
InChIKeyQXMRJRUOUBKJOQ-CLFYSBASSA-N
XLogP0.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 50.54
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-(6H-1-benzothiophen-5-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine (CID 177018451) is (NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine is O/N=C1\C=c2ccsc2=CC1.
What is the InChIKey of (NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine?
The InChIKey is QXMRJRUOUBKJOQ-CLFYSBASSA-N. The full InChI is InChI=1S/C8H7NOS/c10-9-7-1-2-8-6(5-7)3-4-11-8/h2-5,10H,1H2/b9-7-.
What are the key properties of (NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine?
(NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine has a molecular weight of 165.22 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6H-1-benzothiophen-5-ylidene)hydroxylamine is sourced from PubChem (CID 177018451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).