(NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine

C8H10N2OS — CID 124501714

IUPAC(NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCSc1cc(C)c(/C=N\O)cn1
InChIInChI=1S/C8H10N2OS/c1-6-3-8(12-2)9-4-7(6)5-10-11/h3-5,11H,1-2H3/b10-5-
InChIKeyJJOLSWCVLLGDOL-YHYXMXQVSA-N
MW182.25 g/mol
LogP1.92
Rot. Bonds2

About (NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine

(NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 124501714) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is (NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine
PubChem CID124501714
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name(NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCSc1cc(C)c(/C=N\O)cn1
InChIInChI=1S/C8H10N2OS/c1-6-3-8(12-2)9-4-7(6)5-10-11/h3-5,11H,1-2H3/b10-5-
InChIKeyJJOLSWCVLLGDOL-YHYXMXQVSA-N
XLogP1.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.92
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-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine (CID 124501714) is (NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine is CSc1cc(C)c(/C=N\O)cn1.
What is the InChIKey of (NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is JJOLSWCVLLGDOL-YHYXMXQVSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-6-3-8(12-2)9-4-7(6)5-10-11/h3-5,11H,1-2H3/b10-5-.
What are the key properties of (NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine?
(NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 182.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-methyl-6-methylsulfanyl-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 124501714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).