(E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide

C10H14INOS — CID 134988460

IUPAC(E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide
SMILESCCS/C(c1ccccc1)=[N+](\C)O.[I-]
InChIInChI=1S/C10H14NOS.HI/c1-3-13-10(11(2)12)9-7-5-4-6-8-9;/h4-8,12H,3H2,1-2H3;1H/q+1;/p-1/b11-10+;
InChIKeyMIFSQOCCWBAJIA-ASTDGNLGSA-M
MW323.20 g/mol
LogP-0.78
Rot. Bonds2

About (E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide

(E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide (PubChem CID 134988460) has the molecular formula C10H14INOS and a molecular weight of 323.20 g/mol. Its IUPAC name is (E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide.

Molecular Properties

Compound Name(E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide
PubChem CID134988460
Molecular FormulaC10H14INOS
Molecular Weight323.20 g/mol
Exact Mass322.98
IUPAC Name(E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide
SMILESCCS/C(c1ccccc1)=[N+](\C)O.[I-]
InChIInChI=1S/C10H14NOS.HI/c1-3-13-10(11(2)12)9-7-5-4-6-8-9;/h4-8,12H,3H2,1-2H3;1H/q+1;/p-1/b11-10+;
InChIKeyMIFSQOCCWBAJIA-ASTDGNLGSA-M
XLogP-0.78
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-hydroxy-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide
CID 134893006
ethyl benzenecarbodithioate
CID 578579
dimethyl-[phenacylsulfanyl(phenyl)methylidene]azanium
CID 15311920
(Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide
CID 134874702
[1,2-bis(ethylperoxy)-2-phenylethenyl]benzene
CID 54173331
ethyl N'-benzoylcarbamimidothioate
CID 16764605
1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene
CID 71562360
(E)-3-ethylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
CID 23659368
[(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium
CID 54610989
2-ethylsulfanyl-1-phenylethanone
CID 2776060
1-fluorobut-1-en-2-ylbenzene
CID 67823152
2,2-bis(ethylsulfanyl)-1-phenylethanone
CID 12815307

Frequently Asked Questions

What is the IUPAC name of (E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide?
The IUPAC name of (E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide (CID 134988460) is (E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide.
What is the SMILES notation for (E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide?
The canonical SMILES for (E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide is CCS/C(c1ccccc1)=[N+](\C)O.[I-].
What is the InChIKey of (E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide?
The InChIKey is MIFSQOCCWBAJIA-ASTDGNLGSA-M. The full InChI is InChI=1S/C10H14NOS.HI/c1-3-13-10(11(2)12)9-7-5-4-6-8-9;/h4-8,12H,3H2,1-2H3;1H/q+1;/p-1/b11-10+;.
What are the key properties of (E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide?
(E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide has a molecular weight of 323.20 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide is sourced from PubChem (CID 134988460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).