Chlorthiophos
fo-f5b95244c633f1d8
Identity
- Type
- Neutral molecule
- CAS
- 21923-23-9
- EC
- 244-663-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
7- CELA S 2957
- Celamerck S 2957
- Celathion
- Celathion (pesticide)
- Chlorthiophos I
- O-[2,5-Dichloro-4-(methylthio)phenyl] O,O-diethyl phosphorothioate
- Phosphorothioic acid, O-[2,5-dichloro-4-(methylthio)phenyl] O,O-diethyl ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | JAZJVWLGNLCNDD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | O-[2,5-Dichloro-4-(methylthio)phenyl] O,O-diethyl phosphorothioate |
| Molecular formula chemrof:molecular_formula | C11H15Cl2O3PS2 |
| Molecular mass chemrof:molecular_mass | 361.252 |
| Monoisotopic mass chemrof:monoisotopic_mass | 359.957728, 359.95773 |
| SMILES string chemrof:smiles_string | CCOP(=S)(OCC)Oc1cc(Cl)c(SC)cc1Cl |
Known URLs
15Where 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=21923-23-9 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=60238-56-4 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82109 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.040.588 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.210.270 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9041786 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2074800 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1Y631ZW1IN | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J14.348K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18970 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18970 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/30859 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q5103231 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q72460651 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Chlorthiophos | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| bf941e32-a8d1-4f4d-8915-5652e13f214e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 54ef36fb-c65d-4268-89f5-0a23d6b231cf | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 356f07a6-ad36-40c0-ab93-57369452e0c2 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 5778b094-5d97-4519-96c5-7588cb06f3f8 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 463c2e26-daeb-41aa-9f4d-d7ed9436098a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| abeb109c-7c0c-4785-bfeb-389b1f17bf38 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 2195ac73-3b62-4b05-8b08-25e897d4d9a4 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 967fe6af-aeab-47a5-8094-a63de7920398 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| c992e0433e6f8fbb7a477efe3b08227aacdc2a1e | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| dfbe155f-e455-4870-8555-ecabadc8f982 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| dcb3abcf-917c-400e-8546-bb2b8314d6a9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 35ac77ea-c0d8-45c0-b671-ae2bb48a50c4 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 925ae440-f065-4d47-af30-ba408efa4ff7 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| eebd114b-9933-401b-8d3a-350897012bf3 | 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