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Acibenzolar-S-Methyl

UUID 4d9a8790-3ddd-11dd-926f-0050c2490048
Flow Object IDfo-57f7414d3e8a0fee
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 135158-54-2
EC Numbers 420-050-0
prefLabel
Language Value Provenance
en Acibenzolar-S-Methyl
altLabel ⓘ
Language Value Provenance
en 1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester
en 7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole
en Actigard
en BTH
en S-methyl 1,2,3-benzothiadiazole-7-carbothioate
en S-methyl benzo[1,2,3]thiadiazole-7-carbothioate
en benzo-(1,2,3)-thiadiazole-7-carbothioic acid S-methyl ester
en 1,2,3-Benzothiadiazole-7-carbothioic acid, <em>S</em>-methyl ester
en Acibenzolar-<em>S</em>-methyl
en Actigard AM 87
en BTH (agrochemical)
en Bendicar
en Benzothiadiazole
en Bion
en Bion (pesticide)
en Bion 49
en Bion 500WG
en Bion 50WG
en CGA 245704
Definitions
Language Value Provenance
en A benzothiadiazole that is the S-methyl thioester derivative of acibenzolar. A profungicide (by hydrolysis of the thioester group to give the corresponding carboxylic acid), it is used as a fungicide and plant activator on a variety of crops, including cotton, chili peppers, lettuce, onions, spinach, tobacco, and tomatoes.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey UELITFHSCLAHKR-UHFFFAOYSA-N
InChI InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3
IUPAC name 1,2,3-benzothiadiazole-7-carbothioic acid S-methyl ester, S-methyl 1,2,3-benzothiadiazole-7-carbothioate
Molecular formula C8H6N2OS2
Molecular mass 210.283
Monoisotopic mass 209.99215
SMILES CSC(=O)C1=C2C(=CC=C1)N=NS2, CSC(=O)c1cccc2nnsc12

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4d9a8790-3ddd-11dd-926f-0050c2490048 Acibenzolar-S-Methyl

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 Acibenzolar-S-Methyl Emissions/Emissions to water/Emissions to water, unspecified 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=acibenzolar-s-methyl||dimension=Environmental > media=Air > indoor=Unknown; cas=135158-54-2; added Common Chemistry CAS names as altLabel: 1,2,3-Benzothiadiazole-7-carbothioic acid, <em>S</em>-methyl ester, Acibenzolar-<em>S</em>-methyl, Actigard AM 87, BTH (agrochemical), Bendicar, Benzothiadiazole, Bion, Bion (pesticide), Bion 49, Bion 500WG, Bion 50WG, CGA 245704; object_uuid=fo-57f7414d3e8a0fee
cas_match_labels 1 — consensus_match group_key=acibenzolar-s-methyl||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'135158-54-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-57f7414d3e8a0fee: {'135158-54-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Actigard', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Actigard', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'BTH', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BTH', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-methyl 1,2,3-benzothiadiazole-7-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-methyl 1,2,3-benzothiadiazole-7-carbothioate', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-methyl benzo[1,2,3]thiadiazole-7-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-methyl benzo[1,2,3]thiadiazole-7-carbothioate', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'benzo-(1,2,3)-thiadiazole-7-carbothioic acid S-methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:benzo-(1,2,3)-thiadiazole-7-carbothioic acid S-methyl ester', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Actigard', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Actigard', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'BTH', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BTH', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-methyl 1,2,3-benzothiadiazole-7-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-methyl 1,2,3-benzothiadiazole-7-carbothioate', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-methyl benzo[1,2,3]thiadiazole-7-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-methyl benzo[1,2,3]thiadiazole-7-carbothioate', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'benzo-(1,2,3)-thiadiazole-7-carbothioic acid S-methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:benzo-(1,2,3)-thiadiazole-7-carbothioic acid S-methyl ester', 'http://purl.obolibrary.org/obo/CHEBI_73178', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2,3-Benzothiadiazole-7-carbothioic acid, <em>S</em>-methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:135158-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=135158-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acibenzolar-<em>S</em>-methyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:135158-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=135158-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Actigard AM 87', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:135158-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=135158-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'BTH (agrochemical)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:135158-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=135158-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bendicar', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:135158-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=135158-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzothiadiazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:135158-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=135158-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bion', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:135158-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=135158-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bion (pesticide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:135158-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=135158-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bion 49', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:135158-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=135158-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bion 500WG', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:135158-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=135158-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bion 50WG', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:135158-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=135158-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CGA 245704', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:135158-54-2', 'https://commonchemistry.cas.org/detail?cas_rn=135158-54-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=acibenzolar-s-methyl||dimension=Environmental > media=Air > indoor=Unknown; cas=135158-54-2; added Common Chemistry CAS names as altLabel: 1,2,3-Benzothiadiazole-7-carbothioic acid, <em>S</em>-methyl ester, Acibenzolar-<em>S</em>-methyl, Actigard AM 87, BTH (agrochemical), Bendicar, Benzothiadiazole, Bion, Bion (pesticide), Bion 49, Bion 500WG, Bion 50WG, CGA 245704; object_uuid=fo-57f7414d3e8a0fee
cas_match_labels None {'135158-54-2': 'exactMatch'} group_key=acibenzolar-s-methyl||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'135158-54-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-57f7414d3e8a0fee: {'135158-54-2': '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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  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": "Flow name benzothiadiazole-7-carbothioic acid, s-methyl ester was incomplete but CAS correct. Replaced by trivial name Acidenzolar-S-Methyl. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "synonyms": [],
  "unit": "kg",
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      "characterization_factor": 124380.0
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