[[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide

C10H14IN3S — CID 18529877

IUPAC[[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide
SMILESC/C=N/N/C(=[NH+]/c1ccccc1)SC.[I-]
InChIInChI=1S/C10H13N3S.HI/c1-3-11-13-10(14-2)12-9-7-5-4-6-8-9;/h3-8H,1-2H3,(H,12,13);1H/b11-3+;
InChIKeyHEZDGKCINVPENH-KODGKZAJSA-N
MW335.21 g/mol
LogP-2.28
Rot. Bonds2

About [[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide

[[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide (PubChem CID 18529877) has the molecular formula C10H14IN3S and a molecular weight of 335.21 g/mol. Its IUPAC name is [[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide.

Molecular Properties

Compound Name[[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide
PubChem CID18529877
Molecular FormulaC10H14IN3S
Molecular Weight335.21 g/mol
Exact Mass335.00
IUPAC Name[[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide
SMILESC/C=N/N/C(=[NH+]/c1ccccc1)SC.[I-]
InChIInChI=1S/C10H13N3S.HI/c1-3-11-13-10(14-2)12-9-7-5-4-6-8-9;/h3-8H,1-2H3,(H,12,13);1H/b11-3+;
InChIKeyHEZDGKCINVPENH-KODGKZAJSA-N
XLogP-2.28
TPSA38.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_L(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 [[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide?
The IUPAC name of [[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide (CID 18529877) is [[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide.
What is the SMILES notation for [[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide?
The canonical SMILES for [[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide is C/C=N/N/C(=[NH+]/c1ccccc1)SC.[I-].
What is the InChIKey of [[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide?
The InChIKey is HEZDGKCINVPENH-KODGKZAJSA-N. The full InChI is InChI=1S/C10H13N3S.HI/c1-3-11-13-10(14-2)12-9-7-5-4-6-8-9;/h3-8H,1-2H3,(H,12,13);1H/b11-3+;.
What are the key properties of [[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide?
[[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide has a molecular weight of 335.21 g/mol, XLogP of -2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2E)-2-ethylidenehydrazinyl]-methylsulfanylmethylidene]-phenylazanium iodide is sourced from PubChem (CID 18529877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).