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Isoprothiolane sulfoxide

UUID 33b71101-0ba1-4971-a101-00ffe0900b91
Flow Object IDfo-93cc44cacbc2b5b1
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 52303-69-2
prefLabel
Language Value Provenance
en Isoprothiolane sulfoxide
altLabel
Language Value Provenance
en 2-[1,3-dioxo-1,3-bis(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-1-ium-1-olate
en Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxide
en bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate 5-oxide
en di(propan-2-yl) (1-oxo-1lambda(4),3-dithiolan-2-ylidene)propanedioate
en diisopropyl (1-oxido-1,3-dithiolan-2-ylidene)malonate
en 1,3-Bis(1-methylethyl) 2-(1-oxido-1,3-dithiolan-2-ylidene)propanedioate
en 2-(Diisopropoxycarbonyl)methylidene-1,3-dithiolan-1-oxide
en Propanedioic acid, (1-oxido-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester
en Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, <em>S</em>-oxide
en Propanedioic acid, 2-(1-oxido-1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester
en Propanedioic Acid, 1,3-dithiolan-2-ylidene-, Bis
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey ZFQQZUBSEINSSR-UHFFFAOYSA-N
InChI InChI=1S/C12H18O5S2/c1-7(2)16-10(13)9(11(14)17-8(3)4)12-18-5-6-19(12)15/h7-8H,5-6H2,1-4H3
IUPAC name 2-(1-keto-1,3-dithiolan-2-ylidene)malonic acid diisopropyl ester, 2-(1-oxo-1,3-dithiolan-2-ylidene)propanedioic acid dipropan-2-yl ester, diisopropyl 2-(1-oxo-1,3-dithiolan-2-ylidene)propanedioate, dipropan-2-yl 2-(1-oxidanylidene-1,3-dithiolan-2-ylidene)propanedioate, dipropan-2-yl 2-(1-oxo-1,3-dithiolan-2-ylidene)propanedioate
Molecular formula C12H18O5S2
Molecular mass 306.405
Monoisotopic mass 306.05957
SMILES CC(C)OC(=O)C(=C1SCCS1=O)C(=O)OC(C)C, CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 33b71101-0ba1-4971-a101-00ffe0900b91 propanedioic acid, 1,3-dithiolan-2-ylidene-, bis

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 propanedioic acid, 1,3-dithiolan-2-ylidene-, bis Emissions/Emissions to water/Emissions to fresh water kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=propanedioicacid,1,3-dithiolan-2-ylidene-,bis||dimension=Environmental > media=Water > water_body=Unknown; cas=52303-69-2; added Common Chemistry CAS names as altLabel: 1,3-Bis(1-methylethyl) 2-(1-oxido-1,3-dithiolan-2-ylidene)propanedioate, 2-(Diisopropoxycarbonyl)methylidene-1,3-dithiolan-1-oxide, Propanedioic acid, (1-oxido-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester, Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, <em>S</em>-oxide, Propanedioic acid, 2-(1-oxido-1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester; object_uuid=fo-93cc44cacbc2b5b1
cas_match_labels 1 consensus_match group_key=propanedioicacid,1,3-dithiolan-2-ylidene-,bis||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi']; cas_sources={'52303-69-2': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-93cc44cacbc2b5b1: {'52303-69-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-[1,3-dioxo-1,3-bis(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-1-ium-1-olate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-[1,3-dioxo-1,3-bis(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-1-ium-1-olate', 'http://purl.obolibrary.org/obo/CHEBI_6048', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isoprothiolane sulfoxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isoprothiolane sulfoxide', 'http://purl.obolibrary.org/obo/CHEBI_6048', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxide', 'http://purl.obolibrary.org/obo/CHEBI_6048', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate 5-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate 5-oxide', 'http://purl.obolibrary.org/obo/CHEBI_6048', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di(propan-2-yl) (1-oxo-1lambda(4),3-dithiolan-2-ylidene)propanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di(propan-2-yl) (1-oxo-1lambda(4),3-dithiolan-2-ylidene)propanedioate', 'http://purl.obolibrary.org/obo/CHEBI_6048', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diisopropyl (1-oxido-1,3-dithiolan-2-ylidene)malonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diisopropyl (1-oxido-1,3-dithiolan-2-ylidene)malonate', 'http://purl.obolibrary.org/obo/CHEBI_6048', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-[1,3-dioxo-1,3-bis(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-1-ium-1-olate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-[1,3-dioxo-1,3-bis(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-1-ium-1-olate', 'http://purl.obolibrary.org/obo/CHEBI_6048', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isoprothiolane sulfoxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isoprothiolane sulfoxide', 'http://purl.obolibrary.org/obo/CHEBI_6048', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxide', 'http://purl.obolibrary.org/obo/CHEBI_6048', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate 5-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate 5-oxide', 'http://purl.obolibrary.org/obo/CHEBI_6048', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'di(propan-2-yl) (1-oxo-1lambda(4),3-dithiolan-2-ylidene)propanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:di(propan-2-yl) (1-oxo-1lambda(4),3-dithiolan-2-ylidene)propanedioate', 'http://purl.obolibrary.org/obo/CHEBI_6048', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diisopropyl (1-oxido-1,3-dithiolan-2-ylidene)malonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diisopropyl (1-oxido-1,3-dithiolan-2-ylidene)malonate', 'http://purl.obolibrary.org/obo/CHEBI_6048', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-Bis(1-methylethyl) 2-(1-oxido-1,3-dithiolan-2-ylidene)propanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52303-69-2', 'https://commonchemistry.cas.org/detail?cas_rn=52303-69-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-(Diisopropoxycarbonyl)methylidene-1,3-dithiolan-1-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52303-69-2', 'https://commonchemistry.cas.org/detail?cas_rn=52303-69-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, (1-oxido-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52303-69-2', 'https://commonchemistry.cas.org/detail?cas_rn=52303-69-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, <em>S</em>-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52303-69-2', 'https://commonchemistry.cas.org/detail?cas_rn=52303-69-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, 2-(1-oxido-1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52303-69-2', 'https://commonchemistry.cas.org/detail?cas_rn=52303-69-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=propanedioicacid,1,3-dithiolan-2-ylidene-,bis||dimension=Environmental > media=Water > water_body=Unknown; cas=52303-69-2; added Common Chemistry CAS names as altLabel: 1,3-Bis(1-methylethyl) 2-(1-oxido-1,3-dithiolan-2-ylidene)propanedioate, 2-(Diisopropoxycarbonyl)methylidene-1,3-dithiolan-1-oxide, Propanedioic acid, (1-oxido-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester, Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, <em>S</em>-oxide, Propanedioic acid, 2-(1-oxido-1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester; object_uuid=fo-93cc44cacbc2b5b1
cas_match_labels None {'52303-69-2': 'exactMatch'} group_key=propanedioicacid,1,3-dithiolan-2-ylidene-,bis||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi']; cas_sources={'52303-69-2': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-93cc44cacbc2b5b1: {'52303-69-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "unit": "kg",
  "lcia_methods": [
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