(NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine

C4H8N2O2S — CID 13215600

IUPAC(NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine
SMILESO/N=C/CSC/C=N/O
InChIInChI=1S/C4H8N2O2S/c7-5-1-3-9-4-2-6-8/h1-2,7-8H,3-4H2/b5-1+,6-2+
InChIKeyDYUTZRPAPKTDJR-IJIVKGSJSA-N
MW148.19 g/mol
LogP0.64
Rot. Bonds4

About (NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine

(NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine (PubChem CID 13215600) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is (NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine
PubChem CID13215600
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC Name(NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine
SMILESO/N=C/CSC/C=N/O
InChIInChI=1S/C4H8N2O2S/c7-5-1-3-9-4-2-6-8/h1-2,7-8H,3-4H2/b5-1+,6-2+
InChIKeyDYUTZRPAPKTDJR-IJIVKGSJSA-N
XLogP0.64
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine (CID 13215600) is (NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine is O/N=C/CSC/C=N/O.
What is the InChIKey of (NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine?
The InChIKey is DYUTZRPAPKTDJR-IJIVKGSJSA-N. The full InChI is InChI=1S/C4H8N2O2S/c7-5-1-3-9-4-2-6-8/h1-2,7-8H,3-4H2/b5-1+,6-2+.
What are the key properties of (NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine?
(NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine has a molecular weight of 148.19 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine is sourced from PubChem (CID 13215600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).