Demeton-S-methylsulfon
fo-b3ccc6f98f1deb87
Identity
- Type
- Neutral molecule
- CAS
- 17040-19-6
- EC
- 241-109-5
- 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 |
|---|---|---|
| acaricide CHEBI:22153 | A substance used to destroy pests of the subclass Acari (mites and ticks). | Curated |
| 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. | Curated |
| 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. | Curated |
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | PZIRJMYRYORVIT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3 |
| Molecular formula chemrof:molecular_formula | C6H15O5PS2 |
| Molecular mass chemrof:molecular_mass | 262.289 |
| Monoisotopic mass chemrof:monoisotopic_mass | 262.00985, 262.009852 |
| SMILES string chemrof:smiles_string | CCS(=O)(=O)CCSP(=O)(OC)OC |
Known URLs
4Where 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=17040-19-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82118 | enrich_references.chebi_id_link |
| KEGG | https://www.genome.jp/entry/C18979 | enrich_references.chebi_xrefs |
| ppdb | ppdb:1534 | enrich_references.chebi_xrefs |
Elementary flows
7| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2309e6aa4398ce5388b98784c065041b7e2d2d7c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | ecoinvent algorithm addition | kg | 0 |
| 10de94f5459a76e1959809e560046194cf9faedc | Environmental → Air → Unknown | ecoinvent algorithm addition | kg | 0 |
| 79cd13fd6805287f2ccdc9d0e1c0125503d6d56e | Environmental → Ground → Agricultural | ecoinvent algorithm addition | kg | 0 |
| c497382dfa46e71911588708e5d62c751d4ef9da | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| e63f8aff79fcd8157cca1ce5676af6dff71e54fd | Environmental → Ground → Unknown | ecoinvent algorithm addition | kg | 0 |
| bf62fb5b4fb143e559965d708681ca6325f3dd6e | Environmental → Water → Surface water | ecoinvent algorithm addition | kg | 0 |
| 9f85fc6ec76fc17568e950c0fde4c6cb2228d672 | 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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}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