(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine

C13H11Cl2NOS2 — CID 71459025

IUPAC(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine
SMILESCc1ccc(SC/C(=N\O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H11Cl2NOS2/c1-8-2-4-9(5-3-8)18-7-11(16-17)10-6-12(14)19-13(10)15/h2-6,17H,7H2,1H3/b16-11+
InChIKeyZJORKNPTLVVNOU-LFIBNONCSA-N
MW332.28 g/mol
LogP5.33
Rot. Bonds4

About (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine

(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine (PubChem CID 71459025) has the molecular formula C13H11Cl2NOS2 and a molecular weight of 332.28 g/mol. Its IUPAC name is (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine
PubChem CID71459025
Molecular FormulaC13H11Cl2NOS2
Molecular Weight332.28 g/mol
Exact Mass330.97
IUPAC Name(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine
SMILESCc1ccc(SC/C(=N\O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H11Cl2NOS2/c1-8-2-4-9(5-3-8)18-7-11(16-17)10-6-12(14)19-13(10)15/h2-6,17H,7H2,1H3/b16-11+
InChIKeyZJORKNPTLVVNOU-LFIBNONCSA-N
XLogP5.33
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.28
LogP ≤ 55.33
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 (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine (CID 71459025) is (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine is Cc1ccc(SC/C(=N\O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine?
The InChIKey is ZJORKNPTLVVNOU-LFIBNONCSA-N. The full InChI is InChI=1S/C13H11Cl2NOS2/c1-8-2-4-9(5-3-8)18-7-11(16-17)10-6-12(14)19-13(10)15/h2-6,17H,7H2,1H3/b16-11+.
What are the key properties of (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine?
(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine has a molecular weight of 332.28 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(4-methylphenyl)sulfanylethylidene]hydroxylamine is sourced from PubChem (CID 71459025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).