(NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine

C4H8N2O2S2 — CID 170222603

IUPAC(NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine
SMILESO/N=C/CSSC/C=N/O
InChIInChI=1S/C4H8N2O2S2/c7-5-1-3-9-10-4-2-6-8/h1-2,7-8H,3-4H2/b5-1+,6-2+
InChIKeyXDPCLEKRYYDRRV-IJIVKGSJSA-N
MW180.25 g/mol
LogP1.29
Rot. Bonds5

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

(NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine (PubChem CID 170222603) has the molecular formula C4H8N2O2S2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine
PubChem CID170222603
Molecular FormulaC4H8N2O2S2
Molecular Weight180.25 g/mol
Exact Mass180.00
IUPAC Name(NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine
SMILESO/N=C/CSSC/C=N/O
InChIInChI=1S/C4H8N2O2S2/c7-5-1-3-9-10-4-2-6-8/h1-2,7-8H,3-4H2/b5-1+,6-2+
InChIKeyXDPCLEKRYYDRRV-IJIVKGSJSA-N
XLogP1.29
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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]disulfanyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine (CID 170222603) is (NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine is O/N=C/CSSC/C=N/O.
What is the InChIKey of (NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine?
The InChIKey is XDPCLEKRYYDRRV-IJIVKGSJSA-N. The full InChI is InChI=1S/C4H8N2O2S2/c7-5-1-3-9-10-4-2-6-8/h1-2,7-8H,3-4H2/b5-1+,6-2+.
What are the key properties of (NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine?
(NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine has a molecular weight of 180.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[[(2E)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine is sourced from PubChem (CID 170222603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).