Tetramethylthiouronium iodide,S-(4-methoxyphenyl

HCID 359355

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Basic information

CAS: 46733-36-2
Standard SMILES: COc1ccc(SC(N(C)C)=[N+](C)C)cc1.[I-]
InChIKey: FHQNIBUBZLPOCX-UHFFFAOYSA-M
Molecular formula: C12H19IN2OS
Average molar mass: 366.26 g/mol
Monoisotopic mass: 366.02628

Names & identifiers

Preferred name: Tetramethylthiouronium iodide,S-(4-methoxyphenyl
IUPAC: [dimethylamino-(4-methoxyphenyl)sulfanylmethylidene]-dimethylazanium iodide

Names & synonyms

NSC620167Tetramethylthiouronium iodide,S-(4-methoxyphenylDTXSID60876960NSC-62016746733-36-2[Bis(dimethylamino)methylidene](4-methoxyphenyl)sulfanium iodide

Database identifiers

CAS: 46733-36-2
PubChem CID: 359355
DTXSID: DTXSID60876960

Properties

Computed structural properties

Topological polar surface area: 40.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 228

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