(NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine

C10H8ClNOS — CID 125476333

IUPAC(NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cc2ccc(Cl)cc2s1
InChIInChI=1S/C10H8ClNOS/c1-6(12-13)9-4-7-2-3-8(11)5-10(7)14-9/h2-5,13H,1H3/b12-6-
InChIKeyYPZQUNDRFZGRRU-SDQBBNPISA-N
MW225.70 g/mol
LogP3.75
Rot. Bonds1

About (NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine

(NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine (PubChem CID 125476333) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is (NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine
PubChem CID125476333
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name(NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cc2ccc(Cl)cc2s1
InChIInChI=1S/C10H8ClNOS/c1-6(12-13)9-4-7-2-3-8(11)5-10(7)14-9/h2-5,13H,1H3/b12-6-
InChIKeyYPZQUNDRFZGRRU-SDQBBNPISA-N
XLogP3.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 53.75
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-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine (CID 125476333) is (NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine is C/C(=N/O)c1cc2ccc(Cl)cc2s1.
What is the InChIKey of (NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine?
The InChIKey is YPZQUNDRFZGRRU-SDQBBNPISA-N. The full InChI is InChI=1S/C10H8ClNOS/c1-6(12-13)9-4-7-2-3-8(11)5-10(7)14-9/h2-5,13H,1H3/b12-6-.
What are the key properties of (NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine?
(NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine has a molecular weight of 225.70 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 125476333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).