phenol, 3-((2-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)

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Basic information

CAS: 134478-66-3
Standard SMILES: CN(C)Cc1sccc1Sc1cccc(O)c1.CN(C)Cc1sccc1Sc1cccc(O)c1.O=C(O)C(=O)O
InChIKey: JQJIDDDKVYSLFD-UHFFFAOYSA-N
Molecular formula: C28H32N2O6S4
Average molar mass: 620.8 g/mol
Monoisotopic mass: 620.11432144

Names & identifiers

Preferred name: phenol, 3-((2-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)
IUPAC: bis(3-[2-[(dimethylamino)methyl]thiophen-3-yl]sulfanylphenol);oxalic acid

Names & synonyms

N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate3-((2-((Dimethylamino)methyl)-3-thienyl)thio)phenol ethanedioate (2:1) (salt)Phenol, 3-((2-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)134478-66-3DTXSID20158734RefChem:369085DTXCID9081225Oxalic acid--3-({2-[(dimethylamino)methyl]thiophen-3-yl}sulfanyl)phenol (1/2)

Database identifiers

CAS: 134478-66-3
PubChem CID: 3077481
DTXSID: DTXSID20158734

Properties

Computed structural properties

Topological polar surface area: 229 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 12
Rotatable bonds: 9
Heavy atoms: 40
Formal charge: 0
Complexity: 309

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Compound notes

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