Consensus flow list

Identity

Type
NeutralMolecule
CAS
178928-70-6
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Prothioconazole

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MNHVNIJQQRJYDH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)
IUPAC name chemrof:IUPAC_name rac-2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione
Molecular formula chemrof:molecular_formula C14H15Cl2N3OS
Molecular mass chemrof:molecular_mass 344.259, 344.267
Monoisotopic mass chemrof:monoisotopic_mass 343.031288, 343.03129
SMILES string chemrof:smiles_string OC(Cc1ccccc1Cl)(Cn1[nH]cnc1=S)C1(Cl)CC1

Known URLs

27

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=178928-70-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82036 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84008 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.114.615 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4034869 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2251446 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/27B9FV58IY enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.102.540B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18888 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18888 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C97996 enrich_references.pubchem_identifier_url
patent patent:US2011144172 enrich_references.chebi_xrefs
patent patent:US2012046328 enrich_references.chebi_xrefs
patent patent:WO2012033590 enrich_references.chebi_xrefs
pesticides pesticides:prothioconazole enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6451142 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=541537 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/20398299 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21169436 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21480466 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23275516 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23471588 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24585700 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25470433 enrich_references.chebi_xrefs
reaxys reaxys:11343019 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q10816580 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Prothioconazole enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
c0205eb6-8da8-4de4-9c49-5bd84ad5f180 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
533bcaa0-5701-4cf9-ac9d-2a7e4a1d2b39 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2c13dfb0-ecdd-41b7-8408-1d627ca7fc22 Environmental → Air → Indoor EF 3.1 kg 4
82c8c165-02f5-488e-88ce-31190fbc2d8c Environmental → Air → Long-term EF 3.1 kg 0
7832ebc1-fae2-486b-a022-eba344a7c141 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
00d33474-e6dd-4af4-884c-ae56e5c4d865 Environmental → Air → Unknown EF 3.1 kg 4
a75721cb-85d6-48ef-a6dd-b89bf5ef7358 Environmental → Ground → Agricultural EF 3.1 kg 4
629f6552-3424-4702-b948-323eb05f846e Environmental → Ground → Non-agricultural EF 3.1 kg 4
2afc80c57dd582bbf7ffb89be4dd78ca6fa3bf09 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
b12b1f62-5460-4061-bcff-fe5e363ca106 Environmental → Ground → Unknown EF 3.1 kg 4
dd976334-76a6-4dc6-b39e-e7ad2b878dcb Environmental → Water → Long-term EF 3.1 kg 0
48949708-842f-4cbe-bfce-f89c4c1cc61d Environmental → Water → Ocean EF 3.1 kg 4
42e044d8-86c2-4c6c-9451-3c3a6f5c3251 Environmental → Water → Surface water EF 3.1 kg 4
ec6cd36947d7df8d00e4778fb67f2f7705586257 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
23d109ba-51b6-41da-b091-d8f7bd95adf1 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-774cc5150da8ec76",
  "prefLabel": [
    {
      "@value": "Prothioconazole",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
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  ],
  "altLabel": [
    {
      "@value": "(+-)-prothioconazole",
      "@language": "en",
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        ],
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    },
    {
      "@value": "(RS)-prothioconazole",
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    },
    {
      "@value": "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione",
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    {
      "@value": "3H-1,2,4-Triazole-3-thione, 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-",
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    },
    {
      "@value": "Acceleron DX 342",
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    },
    {
      "@value": "Joao",
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      }
    },
    {
      "@value": "Proline (fungicide)",
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    },
    {
      "@value": "Proline 480SC",
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    },
    {
      "@value": "rac-2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione",
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    },
    {
      "@value": "rac-prothioconazole",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "racemic prothioconazole",
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    },
    {
      "@value": "Redigo",
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    },
    {
      "@value": "Rudis",
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  "properties": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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