2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate

C6H10N4O4S2 — CID 136791194

IUPAC2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate
SMILESO/N=C\C(=N\O)SCCSC(/C=N/O)=N/O
InChIInChI=1S/C6H10N4O4S2/c11-7-3-5(9-13)15-1-2-16-6(10-14)4-8-12/h3-4,11-14H,1-2H2/b7-3-,8-4+,9-5-,10-6+
InChIKeyVSORVPDDIXGDTR-RHAKKUIBSA-N
MW266.30 g/mol
LogP0.95
Rot. Bonds5

About 2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate

2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate (PubChem CID 136791194) has the molecular formula C6H10N4O4S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate.

Molecular Properties

Compound Name2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate
PubChem CID136791194
Molecular FormulaC6H10N4O4S2
Molecular Weight266.30 g/mol
Exact Mass266.01
IUPAC Name2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate
SMILESO/N=C\C(=N\O)SCCSC(/C=N/O)=N/O
InChIInChI=1S/C6H10N4O4S2/c11-7-3-5(9-13)15-1-2-16-6(10-14)4-8-12/h3-4,11-14H,1-2H2/b7-3-,8-4+,9-5-,10-6+
InChIKeyVSORVPDDIXGDTR-RHAKKUIBSA-N
XLogP0.95
TPSA130.36 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate?
The IUPAC name of 2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate (CID 136791194) is 2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate.
What is the SMILES notation for 2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate?
The canonical SMILES for 2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate is O/N=C\C(=N\O)SCCSC(/C=N/O)=N/O.
What is the InChIKey of 2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate?
The InChIKey is VSORVPDDIXGDTR-RHAKKUIBSA-N. The full InChI is InChI=1S/C6H10N4O4S2/c11-7-3-5(9-13)15-1-2-16-6(10-14)4-8-12/h3-4,11-14H,1-2H2/b7-3-,8-4+,9-5-,10-6+.
What are the key properties of 2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate?
2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate has a molecular weight of 266.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-hydroxy-C-[(Z)-hydroxyiminomethyl]carbonimidoyl]sulfanylethyl (1E,2E)-N-hydroxy-2-hydroxyiminoethanimidothioate is sourced from PubChem (CID 136791194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).