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N,N'-Diethylthiourea

2D structure
UUID 08a91e70-3ddc-11dd-9bb0-0050c2490048
Deprecated yes
Replaced By 08a91e70-3ddc-11dd-9bb1-0050c2490048
Flow Object IDfo-325f6b42a5f88cdb
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 105-55-5
EC Numbers 203-308-5
prefLabel
Language Value Provenance
en N,N'-Diethylthiourea
altLabel ⓘ
Language Value Provenance
en 1,3-Diethyl-2-thiourea
en DETU
en N,N'-Diethylthiocarbamide
en N,N-Diethyl-2-thiourea
en Pennzone E
en Thiate H
en diethylthiourea
en <em>N</em>,<em>N</em>′-Diethylthiocarbamide
en <em>N</em>,<em>N</em>′-Diethylthiourea
en Accel EUR
en Accelerator DETU
en Accelerator EUR
en NSC 3507
en Nocceler EUR
en Rhenogran DETU
en Rhenogran DETU 80
en Robac DETU
en Sanceler EUR
en Thiourea, <em>N</em>,<em>N</em>′-diethyl-
en U 15030
en Urea, 1,3-diethyl-2-thio-
en 1,3-diethylthiourea
Definitions
Language Value Provenance
en Thiourea in which each nitrogen carries an ethyl substituent.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey FLVIGYVXZHLUHP-UHFFFAOYSA-N
InChI InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
IUPAC name 1,3-diethylthiourea
Molecular formula C5H12N2S
Molecular mass 132.232
Monoisotopic mass 132.072119, 132.07212
SMILES CCNC(=S)NCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 08a91e70-3ddc-11dd-9bb0-0050c2490048 1,3-diethylthiourea

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=1,3-diethylthiourea||dimension=Environmental > media=Ground > geography=Agricultural; cas=105-55-5; added Common Chemistry CAS names as altLabel: <em>N</em>,<em>N</em>′-Diethylthiocarbamide, <em>N</em>,<em>N</em>′-Diethylthiourea, Accel EUR, Accelerator DETU, Accelerator EUR, NSC 3507, Nocceler EUR, Rhenogran DETU, Rhenogran DETU 80, Robac DETU, Sanceler EUR, Thiourea, <em>N</em>,<em>N</em>′-diethyl-, U 15030, Urea, 1,3-diethyl-2-thio-; object_uuid=fo-325f6b42a5f88cdb
cas_match_labels 1 — consensus_match group_key=1,3-diethylthiourea||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'105-55-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-325f6b42a5f88cdb: {'105-55-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,3-Diethyl-2-thiourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Diethyl-2-thiourea', 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DETU', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DETU', 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "N,N'-Diethylthiocarbamide", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:N,N'-Diethylthiocarbamide", 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "N,N'-diethylthiourea", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:N,N'-diethylthiourea", 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N,N-Diethyl-2-thiourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N-Diethyl-2-thiourea', 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Pennzone E', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Pennzone E', 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Thiate H', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Thiate H', 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diethylthiourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diethylthiourea', 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,3-Diethyl-2-thiourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3-Diethyl-2-thiourea', 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DETU', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DETU', 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "N,N'-Diethylthiocarbamide", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:N,N'-Diethylthiocarbamide", 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "N,N'-diethylthiourea", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:N,N'-diethylthiourea", 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N,N-Diethyl-2-thiourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N-Diethyl-2-thiourea', 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Pennzone E', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Pennzone E', 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Thiate H', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Thiate H', 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'diethylthiourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:diethylthiourea', 'http://purl.obolibrary.org/obo/CHEBI_82448', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '<em>N</em>,<em>N</em>′-Diethylthiocarbamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>′-Diethylthiourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Accel EUR', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Accelerator DETU', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Accelerator EUR', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 3507', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nocceler EUR', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rhenogran DETU', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rhenogran DETU 80', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Robac DETU', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sanceler EUR', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thiourea, <em>N</em>,<em>N</em>′-diethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'U 15030', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, 1,3-diethyl-2-thio-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-55-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-55-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1,3-diethylthiourea||dimension=Environmental > media=Ground > geography=Agricultural; cas=105-55-5; added Common Chemistry CAS names as altLabel: <em>N</em>,<em>N</em>′-Diethylthiocarbamide, <em>N</em>,<em>N</em>′-Diethylthiourea, Accel EUR, Accelerator DETU, Accelerator EUR, NSC 3507, Nocceler EUR, Rhenogran DETU, Rhenogran DETU 80, Robac DETU, Sanceler EUR, Thiourea, <em>N</em>,<em>N</em>′-diethyl-, U 15030, Urea, 1,3-diethyl-2-thio-; object_uuid=fo-325f6b42a5f88cdb
cas_match_labels None {'105-55-5': 'exactMatch'} group_key=1,3-diethylthiourea||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'105-55-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-325f6b42a5f88cdb: {'105-55-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
  "cas_numbers": [
    "105-55-5"
  ],
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  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": "Correct mapping CAS and flow to be verified, potentially wrong. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "08a91e70-3ddc-11dd-9bb0-0050c2490048",
  "input_datasets": [
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      "source_flow_name": "1,3-diethylthiourea",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
          "Emissions to water, unspecified (long-term)"
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