Thiacloprid
fo-9078b599a8d986ca
Identity
- Type
- Neutral molecule
- CAS
- 111988-49-9
- EC
- —
- Origin
- ecoinvent-3.12 hybrid_name_cas_v1
- Changes
- 0 across every transformer
Structure
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 |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
| insecticide CHEBI:24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | 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
4- (3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide
- Calypso
- {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
- {3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | HOKKPVIRMVDYPB-UVTDQMKNSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2 |
| IUPAC name chemrof:IUPAC_name | (3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide |
| Molecular formula chemrof:molecular_formula | C10H9ClN4S |
| Molecular mass chemrof:molecular_mass | 252.73 |
| Monoisotopic mass chemrof:monoisotopic_mass | 252.02364, 252.023645 |
| SMILES string chemrof:smiles_string | N#CN=C1SCCN1Cc1ccc(Cl)nc1 |
Known URLs
14Where 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 |
|---|---|---|
| beilstein | beilstein:8983861 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=111988-49-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39175 | enrich_references.chebi_id_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39176 | enrich_references.chebi_id_link |
| KEGG | https://www.genome.jp/entry/C18512 | enrich_references.chebi_xrefs |
| patent | patent:CN103404532 | enrich_references.chebi_xrefs |
| patent | patent:PT1715743 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:TH4 | enrich_references.chebi_xrefs |
| pesticides | pesticides:thiacloprid | enrich_references.chebi_xrefs |
| ppdb | ppdb:630 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19937322 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22677783 | enrich_references.chebi_xrefs |
| reaxys | reaxys:8553379 | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Thiacloprid | enrich_references.chebi_xrefs |
Elementary flows
8| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 38182d88b2ffaa1e2c23728ac637a14fc28def15 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | ecoinvent algorithm addition | kg | 0 |
| bcea478e473d89fdfa8cc241a87ad82ef080e134 | Environmental → Air → Unknown | ecoinvent algorithm addition | kg | 0 |
| 0f8e0c06108968edded7a7704379ee339268d322 | Environmental → Ground → Agricultural | ecoinvent algorithm addition | kg | 0 |
| 332d82fa75a7119d425c5ac724a13eccb7afd02a | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 17c7739ac334a3c4e76371a495e8db938a2e0408 | Environmental → Ground → Unknown | ecoinvent algorithm addition | kg | 0 |
| f6b1dc77221c3add88a7db5bcd11d9cdd913a904 | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| ec47524737bb0943149dce649d5b074825dfee85 | Environmental → Water → Surface water | ecoinvent algorithm addition | kg | 0 |
| a498047bd3ebc9408e1693b66477cf2c3c7d432a | Environmental → Water → Unknown | ecoinvent algorithm addition | kg | 0 |
History
Everything that changed this substance (0 changes)
Full record
Flow object JSON
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"http://www.w3.org/2004/02/skos/core#definition": "Any minor or unwanted substance introduced into the environment that can have undesired effects.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24852",
"rdfs:label": "insecticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill members of the class <em>Insecta</em>. In common usage, any substance used for preventing, destroying, repelling or controlling insects.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works