N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine

C4H8N2O2S — CID 169174302

IUPACN-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine
SMILESON=CCSCC=NO
InChIInChI=1S/C4H8N2O2S/c7-5-1-3-9-4-2-6-8/h1-2,7-8H,3-4H2
InChIKeyDYUTZRPAPKTDJR-UHFFFAOYSA-N
MW148.19 g/mol
LogP0.64
Rot. Bonds4

About N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine

N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine (PubChem CID 169174302) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine
PubChem CID169174302
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC NameN-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine
SMILESON=CCSCC=NO
InChIInChI=1S/C4H8N2O2S/c7-5-1-3-9-4-2-6-8/h1-2,7-8H,3-4H2
InChIKeyDYUTZRPAPKTDJR-UHFFFAOYSA-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 N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine (CID 169174302) is N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine is ON=CCSCC=NO.
What is the InChIKey of N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine?
The InChIKey is DYUTZRPAPKTDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c7-5-1-3-9-4-2-6-8/h1-2,7-8H,3-4H2.
What are the key properties of N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine?
N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]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 N-[2-(2-hydroxyiminoethylsulfanyl)ethylidene]hydroxylamine is sourced from PubChem (CID 169174302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).