Flutianil
fo-703e0d4069d6abef
Identity
- Type
- NeutralMolecule
- CAS
- 958647-10-4
- EC
- 812-888-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 60 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
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
5- (2Z)-2-[[2-fluoro-5-(trifluoromethyl)phenyl]thio]-2-[3-(2-methoxyphenyl)-2-thiazolidinylidene]acetonitrile
- (2Z)-{[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl}[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile
- (Z)-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene](alpha,alpha,alpha,4-tetrafluoro-m-tolylthio)acetonitrile
- Acetonitrile, 2-[[2-fluoro-5-(trifluoromethyl)phenyl]thio]-2-[3-(2-methoxyphenyl)-2-thiazolidinylidene]-, (2Z)-
- Flutianil (iso); (2z)-{[2-fluoro-5-(trifluoromethyl)phenyl]thio}[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KGXUEPOHGFWQKF-ZCXUNETKSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17- |
| Isomeric SMILES string chemrof:isomeric_smiles_string | COc1ccccc1N1CCS/C1=C(/C#N)Sc1cc(C(F)(F)F)ccc1F |
| IUPAC name chemrof:IUPAC_name | (2Z)-2-[[2-fluoro-5-(trifluoromethyl)phenyl]thio]-2-[3-(2-methoxyphenyl)-2-thiazolidinylidene]acetonitrile |
| Molecular formula chemrof:molecular_formula | C19H14F4N2OS2 |
| Molecular mass chemrof:molecular_mass | 426.46 |
| Monoisotopic mass chemrof:monoisotopic_mass | 426.048368, 426.04837 |
| SMILES string chemrof:smiles_string | COc1ccccc1N1CCSC1=C(C#N)Sc1cc(C(F)(F)F)ccc1F |
Known URLs
11Where 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=958647-10-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83277 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.246.018 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0058225 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/11KT64027Y | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.716.540K | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.174.160B | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:2608 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/44151818 | enrich_references.pubchem_compound |
| reaxys | reaxys:15619886 | enrich_references.chebi_xrefs |
| wikidata.org | https://www.wikidata.org/wiki/Q19279676 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7f6f5daa-26de-4893-8bd3-403869fbdcfd | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 17b1d8ed-5d3b-4650-b51c-d8c70b5e309c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 8d88a85e-6c7b-4bbf-8e4f-81197360fe05 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 49632172-cca9-4347-b15e-9cbc2f1294b0 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a65f972d-1a6c-4caa-88f3-5114dfaebd49 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| a0bff223-c490-4349-be35-0d1fb3f211cb | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 13816b39-37a2-42d6-85d0-681f18876c0a | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 977d83b0-de63-478c-b50d-328d706f7792 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| b951ded542df6d6468728c3cc11e864a14a43db2 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 3cb242b3-98ea-4dc7-be52-9dc720704721 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| b0be2d0d-9753-4a2f-b21d-97b7b9564577 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 74610179-306a-4f22-b6be-18df50412f54 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 50d9e5da-38c3-4625-b58d-6c36692f425c | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| dcbdc821-5124-48dd-a91b-0cf532375fee | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (60 changes)
Full record
Flow object JSON
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