(1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide

C3H3IN2S — CID 176542936

IUPAC(1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide
SMILESSC=C=N/N=C\I
InChIInChI=1S/C3H3IN2S/c4-3-6-5-1-2-7/h2-3,7H/b6-3-
InChIKeyOTHLUXNFTHJZQS-UTCJRWHESA-N
MW226.04 g/mol
LogP1.48
Rot. Bonds1

About (1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide

(1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide (PubChem CID 176542936) has the molecular formula C3H3IN2S and a molecular weight of 226.04 g/mol. Its IUPAC name is (1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide.

Molecular Properties

Compound Name(1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide
PubChem CID176542936
Molecular FormulaC3H3IN2S
Molecular Weight226.04 g/mol
Exact Mass225.91
IUPAC Name(1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide
SMILESSC=C=N/N=C\I
InChIInChI=1S/C3H3IN2S/c4-3-6-5-1-2-7/h2-3,7H/b6-3-
InChIKeyOTHLUXNFTHJZQS-UTCJRWHESA-N
XLogP1.48
TPSA24.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.04
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide?
The IUPAC name of (1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide (CID 176542936) is (1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide.
What is the SMILES notation for (1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide?
The canonical SMILES for (1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide is SC=C=N/N=C\I.
What is the InChIKey of (1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide?
The InChIKey is OTHLUXNFTHJZQS-UTCJRWHESA-N. The full InChI is InChI=1S/C3H3IN2S/c4-3-6-5-1-2-7/h2-3,7H/b6-3-.
What are the key properties of (1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide?
(1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide has a molecular weight of 226.04 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(2-sulfanylethenylideneamino)methanimidoyl iodide is sourced from PubChem (CID 176542936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).