Phenkapton
fo-4f7c8162922e9576
Identity
- Type
- Neutral molecule
- CAS
- 2275-14-1
- EC
- 218-892-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
13- CMP
- CMP (pesticide)
- Geigy G 28029
- Methanethiol, (2,5-dichlorophenylthio)-, S-ester with O,O-di-Et phosphorodithioate
- O,O-Diethyl S-(2,5-dichlorophenylthiomethyl) dithiophosphate
- O,O-Diethyl S-(2,5-dichlorophenylthiomethyl) phosphorodithioate
- O,O-Diethyl S-(2,5-dichlorophenylthiomethyl) phosphorothiolothionate
- Phencapton
- Phenkaptone
- Phenudin
- Phenudine
- Phosphorodithioic acid, S-[[(2,5-dichlorophenyl)thio]methyl] O,O-diethyl ester
- S-(2,5-Dichlorophenylthiomethyl) O,O-diethyl phosphorodithioate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | GGNLTHFTYNDYNK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | O,O-Diethyl S-(2,5-dichlorophenylthiomethyl) dithiophosphate |
| Molecular formula chemrof:molecular_formula | C11H15Cl2O2PS3 |
| Molecular mass chemrof:molecular_mass | 377.32 |
| Monoisotopic mass chemrof:monoisotopic_mass | 375.93488, 375.934885 |
| SMILES string chemrof:smiles_string | CCOP(=S)(OCC)SCSc1cc(Cl)ccc1Cl |
Known URLs
12Where 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=2275-14-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82144 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.017.176 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3042269 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185554 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CNR73N2K09 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.144J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19010 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19010 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1274 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16773 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q15632888 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e00fead1-6f77-4161-9c31-56048e855584 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 8c5e73bb-7508-48a6-9611-9e79000188c7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 30369801-9532-43e2-a4e5-53c60db8ba5c | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 32e20887-73f4-40fc-b849-408ae6fee551 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6f72de88-d284-47bb-b10c-4228c168a202 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 8cfec52d-9467-42b9-b1ed-7528a08f8a0c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 419bd76b-428b-443e-bdfa-127092ca872c | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 51c1bff0-e371-4583-901e-17a7c16c8dab | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| ba4c292c009f2c86bd2f140758760ea1b5e4238d | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| bf22158a-42b8-48d8-8a43-7b4e92112cca | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 20419b06-e49e-4591-9d2b-b19fcd3cfcb1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ab32b1d3-2378-4804-9835-e3a7d58a7c2b | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 28d46ec4-279b-42ac-9f3d-233f211e5d67 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| c583ad02-9a48-4cca-a01d-316db11ba0bf | 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