Piperophos
fo-56bdbb8a21f669f6
Identity
- Type
- Neutral molecule
- CAS
- 24151-93-7
- EC
- 607-329-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
5- 2-Pipecoline, 1-(mercaptoacetyl)-, S-ester with O,O-dipropyl phosphorodithioate
- N-(O,O-Dipropyl-dithiophosphorylacetyl)-2-methylpiperidine
- Phosphorodithioic acid, O,O-dipropyl ester, S-ester with 1-(mercaptoacetyl)-2-pipecoline
- Phosphorodithioic acid, S-[2-(2-methyl-1-piperidinyl)-2-oxoethyl] O,O-dipropyl ester
- S-(2-Methyl-1-piperidylcarbonylmethyl) O,O-dipropyl phosphorodithioate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UNLYSVIDNRIVFJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H28NO3PS2/c1-4-10-17-19(20,18-11-5-2)21-12-14(16)15-9-7-6-8-13(15)3/h13H,4-12H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | S-(2-Methyl-1-piperidylcarbonylmethyl) O,O-dipropyl phosphorodithioate |
| Molecular formula chemrof:molecular_formula | C14H28NO3PS2 |
| Molecular mass chemrof:molecular_mass | 353.49 |
| Monoisotopic mass chemrof:monoisotopic_mass | 353.12482, 353.124822 |
| SMILES string chemrof:smiles_string | CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C |
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=24151-93-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81940 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.133.269 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8058031 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NZQ0DO501J | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.874K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18758 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18758 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1176 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/32230 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q16855710 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 460638c4-ac02-4365-bc61-9188ea38f0e7 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 2c2b8f8e-8469-48a2-9c2f-a146872dc45b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 602ce812-7399-4b97-8a39-7c6c21fab67b | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 6b8e60cf-083d-4cb4-8aff-482c7af552e2 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| eaf31303-e431-45c3-9c44-6d7fd92641ca | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| fafff9b1-201f-4653-9ffc-42926a5d6eb2 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 2d48b353-fe06-49c6-8f29-d521c074eb29 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 6b795fbc-c60d-495a-98e8-0ed4fbf3e95c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 0a763110e104e2b9296b3ec632beefd2bdba4ae4 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 275a961c-3f2c-4117-a921-5661a4f5b895 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 6f4befb0-2d25-415b-9c0c-9f98a02e8c92 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| f9cd80bd-9485-45be-8c74-7b13b26f1db1 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| d12c5c5b-c07e-4c70-958b-a88c5fe89274 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 5a74415d-f89b-4d52-b7b8-c8791e477625 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 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