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Record W2106882095 · doi:10.1139/v06-023

Organosulfur oxoacids. Part 1. Synthesis, structure, and reactivity of dimethylaminoiminomethanesulfinic acid (DMAIMSA)

2006· article· en· W2106882095 on OpenAlexvenueno aff
J. Folorunso Ojo, Jeffrey L. Petersen, Adenike Otoikhian, Reuben H. Simoyi

Bibliographic record

VenueCanadian Journal of Chemistry · 2006
Typearticle
Languageen
FieldChemistry
TopicChemical Reaction Mechanisms
Canadian institutionsnot available
FundersDivision of Chemistry
KeywordsChemistryReactivity (psychology)HeterolysisNucleophileMedicinal chemistryDicationTriclinic crystal systemInorganic chemistryDithionitePhotochemistryOrganic chemistryMolecule

Abstract

fetched live from OpenAlex

One of the major metabolites of dimethylthiourea, dimethylaminoiminomethanesulfinic acid (DMAIMSA), was synthesized by controlled oxidation of dimethylthiourea using hydrogen peroxide. The crystal structure was determined by X-ray crystallography. It is a zwitterionic species in its solid form, with a positive charge delocalized around an sp 2 -hybridized carbon center and two nitrogen atoms. It crystallizes in the triclinic P[Formula: see text] space group. The C—S bond, at 1.880(2) Å, is much longer than a typical C—S single bond length of 1.79 Å. It is also longer than the one observed in thiourea trioxide, a comparable sulfonic acid. This C—S bond is stable in acidic conditions and is easily cleaved in basic conditions or in the presence of suitable nucleophiles that can attack the positively disposed carbon center. DMAIMSA is highly reactive and easily decomposes in basic conditions to yield dithionite in the presence of oxygen, whereas in strictly anaerobic conditions it gives a mixture of sulfite and sulfide. The precursor to dithionite, SO 2 ·– , is formed from the one-electron oxidation of the sulfoxylate anion, SO 2 2– , which results from an initial heterolytic cleavage of the C—S bond in DMAIMSA. The sulfur center is oxidized, even by mild oxidants such as aqueous iodine, to sulfate. Key words: thiourea metabolites, synthesis, structure, reactivity.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.006
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.009
GPT teacher head0.195
Teacher spread0.186 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations8
Published2006
Admission routes1
Has abstractyes

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