IPSP
fo-42b056c16d193223
Identity
- Type
- Neutral molecule
- CAS
- 5827-05-4
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
5- Aphidan
- Methanethiol, (ethylsulfinyl)-, S-ester with O,O-diisopropyl phosphorodithioate
- O,O-Diisopropyl S-[(ethylsulfinyl)methyl] dithiophosphate
- Phosphorodithioic acid, S-[(ethylsulfinyl)methyl] O,O-bis(1-methylethyl) ester
- Phosphorodithioic acid, S-[(ethylsulfinyl)methyl] O,O-diisopropyl ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KOTOUBGHZHWCCJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H21O3PS3/c1-6-16(10)7-15-13(14,11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3 |
| IUPAC name chemrof:IUPAC_name | O,O-Diisopropyl S-[(ethylsulfinyl)methyl] dithiophosphate |
| Molecular formula chemrof:molecular_formula | C9H21O3PS3 |
| Molecular mass chemrof:molecular_mass | 304.439 |
| Monoisotopic mass chemrof:monoisotopic_mass | 304.03904, 304.039044 |
| SMILES string chemrof:smiles_string | CCS(=O)CSP(=S)(OC(C)C)OC(C)C |
Known URLs
10Where 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=5827-05-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82134 | enrich_references.chebi_id_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1058135 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1ZC9XXE564 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.078C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19000 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19000 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:2807 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/22083 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27155762 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| aad3943d-11c3-4349-8dd5-9442dfe061d7 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| c3ca9d2d-7df9-4ec7-85f7-7bcc30b3a897 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 9d6329e1-74e4-43ea-9789-7fbeb48160b6 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 764974da-e0e2-4018-9cba-8e4494565390 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c776bb31-d86d-4626-90e7-8a26f849590a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| c4b9c64f-3767-4d53-a09d-5296badd9ae3 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| dcd32b64-c83b-4afd-a528-f724eb3341ad | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| cdc6b3fc-b05b-477c-a709-c72e587d6fd8 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 3cef6b2de98c8f328626f0977c369ae13cba5374 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 3147034f-882f-480c-b9a4-a4043284b9fc | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| a1e1cc16-9ab7-4586-9ea1-1ae8b59e6186 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c5e252b0-712b-4db3-b842-c01db223a916 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| d6c12743-d3fb-46c6-a200-b2f0b73dad4f | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| ccd768c6-f2fd-4bf3-b502-8c2f2fa07e15 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 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