(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine

C11H8Cl2N2OS2 — CID 71460824

IUPAC(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine
SMILESO/N=C(\CSc1cccnc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H8Cl2N2OS2/c12-10-4-8(11(13)18-10)9(15-16)6-17-7-2-1-3-14-5-7/h1-5,16H,6H2/b15-9+
InChIKeyWHEDWWKOXDNLCS-OQLLNIDSSA-N
MW319.24 g/mol
LogP4.42
Rot. Bonds4

About (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine

(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine (PubChem CID 71460824) has the molecular formula C11H8Cl2N2OS2 and a molecular weight of 319.24 g/mol. Its IUPAC name is (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine
PubChem CID71460824
Molecular FormulaC11H8Cl2N2OS2
Molecular Weight319.24 g/mol
Exact Mass317.95
IUPAC Name(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine
SMILESO/N=C(\CSc1cccnc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H8Cl2N2OS2/c12-10-4-8(11(13)18-10)9(15-16)6-17-7-2-1-3-14-5-7/h1-5,16H,6H2/b15-9+
InChIKeyWHEDWWKOXDNLCS-OQLLNIDSSA-N
XLogP4.42
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine (CID 71460824) is (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine is O/N=C(\CSc1cccnc1)c1cc(Cl)sc1Cl.
What is the InChIKey of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine?
The InChIKey is WHEDWWKOXDNLCS-OQLLNIDSSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS2/c12-10-4-8(11(13)18-10)9(15-16)6-17-7-2-1-3-14-5-7/h1-5,16H,6H2/b15-9+.
What are the key properties of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine?
(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine has a molecular weight of 319.24 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-pyridin-3-ylsulfanylethylidene]hydroxylamine is sourced from PubChem (CID 71460824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).