Isoprothiolane
fo-45688ee371956e3c
Identity
- Type
- Neutral molecule
- CAS
- 50512-35-1
- EC
- 610-537-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 60 across every transformer
Structure
What it is used for
5
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 |
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
| fungicide CHEBI:24127 | A substance used to destroy fungal pests. | 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
11- bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate
- di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate
- di-isopropyl 1,3-dithiolane-2-ylidenemalonate
- diisopropyl 1,3-dithiolan-2-ylidenemalonate
- diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate
- Fuji-one
- IPT
- Ipt (isoprothiolane)
- IPT (pesticide)
- Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester
- Propanedioic acid, 2-(1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UFHLMYOGRXOCSL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate |
| Molecular formula chemrof:molecular_formula | C12H18O4S2 |
| Molecular mass chemrof:molecular_mass | 290.406 |
| Monoisotopic mass chemrof:monoisotopic_mass | 290.06465, 290.064651 |
| SMILES string chemrof:smiles_string | CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1 |
Known URLs
21Where 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=50512-35-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6047 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.124.256 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8058110 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL35280 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/88HCS898G6 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031779 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.513K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C11111 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C11111 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45092 | enrich_references.pubchem_identifier_url |
| pesticides | pesticides:isoprothiolane | enrich_references.chebi_xrefs |
| ppdb | ppdb:408 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/39681 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19757109 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23500396 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23537300 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24617140 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2927019 | enrich_references.chebi_xrefs |
| reaxys | reaxys:2128528 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q18816455 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c98c3a22-0851-4485-8055-6686f76e4645 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| eda0df8d-fb70-4ba9-9673-033bed061bf2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| c1cb7e73-fb45-4bd9-abb2-6d8e0c6e99c6 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| c0874b4e-2f09-4a1b-b70e-dc7d75cb2800 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 0dedd753-c174-447a-aa73-a1258c7eb3a1 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| f897950a-63b0-4969-9aa7-bd9fc5967614 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 5bd5f94d-ec9f-43b4-a791-e977e2f0b4f9 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 0f51a974-d55c-42aa-8dc3-36fd537344ce | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| cc4430e2bdd6b8b9bec88055bca71e34b9785b76 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| c6784274-ea62-4700-a79d-71ac8627b70d | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 364ef915-f56f-4851-8422-f7a970617355 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a41ac992-7bf3-401a-b202-80d0feab76ad | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 6c58b6df-9ab6-4ee7-a420-7d54917b198c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 33a2a217-83bb-47eb-a66d-083c6270f3f0 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (60 changes)
Full record
Flow object JSON
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}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