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Dodecane-1-thiol

UUID 1b55d564-d9c2-4c4a-a35a-ff3ef2d7d965
Deprecated yes
Replaced By c5ae1d0e-b622-47cf-9f8f-12f7fd38c201
Flow Object IDfo-d3d4f9bbca946a39
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 112-55-0
EC Numbers 203-984-1
prefLabel
Language Value Provenance
en Dodecane-1-thiol
altLabel ⓘ
Language Value Provenance
en 1-Dodecanethiol
en 1-Dodecyl mercaptan
en 1-Dodecylthiol
en 1-Mercaptododecane
en <em>n</em>-Dodecanethiol
en <em>n</em>-Dodecyl mercaptan
en <em>n</em>-Dodecyl thiolate
en <em>n</em>-Dodecylthiol
en <em>n</em>-Lauryl mercaptan
en Dodecyl mercaptan
en HS 45220
en Lauryl mercaptan
en NDM
en NSC 814
en Thiokalcol 20
References
Shared Properties
Predicate Value
InChIKey WNAHIZMDSQCWRP-UHFFFAOYSA-N, XOYHFIQPPOJMFK-UHFFFAOYSA-N
InChI InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3, InChI=1S/C6H4BrF2N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
IUPAC name (4-bromo-2,5-difluoro-phenyl)amine, 1-dodecanethiol, 4-bromanyl-2,5-bis(fluoranyl)aniline, 4-bromo-2,5-difluoro-aniline, 4-bromo-2,5-difluoroaniline, dodecane-1-thiol
Molecular formula C12H26S, C6H4BrF2N
SMILES C1=C(C(=CC(=C1F)Br)F)N, CCCCCCCCCCCCS

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1b55d564-d9c2-4c4a-a35a-ff3ef2d7d965 dodecane-1-thiol

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=dodecane-1-thiol||dimension=Environmental > media=Water > water_body=Unknown; cas=112-55-0; added Common Chemistry CAS names as altLabel: 1-Dodecanethiol, 1-Dodecyl mercaptan, 1-Dodecylthiol, 1-Mercaptododecane, <em>n</em>-Dodecanethiol, <em>n</em>-Dodecyl mercaptan, <em>n</em>-Dodecyl thiolate, <em>n</em>-Dodecylthiol, <em>n</em>-Lauryl mercaptan, Dodecyl mercaptan, HS 45220, Lauryl mercaptan, NDM, NSC 814, Thiokalcol 20; object_uuid=fo-d3d4f9bbca946a39
cas_match_labels 1 — consensus_match group_key=dodecane-1-thiol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'112-55-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d3d4f9bbca946a39: {'112-55-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1-Dodecanethiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Dodecyl mercaptan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Dodecylthiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Mercaptododecane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>n</em>-Dodecanethiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>n</em>-Dodecyl mercaptan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>n</em>-Dodecyl thiolate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>n</em>-Dodecylthiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>n</em>-Lauryl mercaptan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dodecyl mercaptan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'HS 45220', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lauryl mercaptan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NDM', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 814', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thiokalcol 20', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:112-55-0', 'https://commonchemistry.cas.org/detail?cas_rn=112-55-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=dodecane-1-thiol||dimension=Environmental > media=Water > water_body=Unknown; cas=112-55-0; added Common Chemistry CAS names as altLabel: 1-Dodecanethiol, 1-Dodecyl mercaptan, 1-Dodecylthiol, 1-Mercaptododecane, <em>n</em>-Dodecanethiol, <em>n</em>-Dodecyl mercaptan, <em>n</em>-Dodecyl thiolate, <em>n</em>-Dodecylthiol, <em>n</em>-Lauryl mercaptan, Dodecyl mercaptan, HS 45220, Lauryl mercaptan, NDM, NSC 814, Thiokalcol 20; object_uuid=fo-d3d4f9bbca946a39
cas_match_labels None {'112-55-0': 'exactMatch'} group_key=dodecane-1-thiol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'112-55-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d3d4f9bbca946a39: {'112-55-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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