Difethialone
fo-a2b3230e06ca0b89
Identity
- Type
- Neutral molecule
- CAS
- 104653-34-1
- EC
- —
- Origin
- agribalyse-3.2 hybrid_name_cas_v1
- Changes
- 0 across every transformer
Structure
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | JHELOZJAKXYVBE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2 |
| Molecular formula chemrof:molecular_formula | C31H23BrO2S |
| Molecular mass chemrof:molecular_mass | 539.494 |
| Monoisotopic mass chemrof:monoisotopic_mass | 538.06021, 538.060213 |
| SMILES string chemrof:smiles_string | O=c1sc2ccccc2c(O)c1C1CC(c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 |
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=104653-34-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81893 | enrich_references.chebi_id_link |
| KEGG | https://www.genome.jp/entry/C18695 | enrich_references.chebi_xrefs |
| ppdb | ppdb:233 | enrich_references.chebi_xrefs |
Elementary flows
4| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 36be1620c22e69bd5d3f7ff7219affcc8833dcec | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | agribalyse algorithm addition | kg | 0 |
| 0cb5520e9d9f489da920aa9cb651ce05244781c8 | Environmental → Ground → Agricultural | agribalyse algorithm addition | kg | 0 |
| 8162882151244ff08e9734dc738ed8c39a2239f2 | Environmental → Ground → Silvicultural | agribalyse algorithm addition | kg | 0 |
| 1db096542a636724e66c2adf8ef13abe5de6a121 | Environmental → Water → River | agribalyse 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
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