Consensus flow list

Identity

Type
Neutral molecule
CAS
97886-45-8
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dithiopyr

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YUBJPYNSGLJZPQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3
IUPAC name chemrof:IUPAC_name 3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethyl ester
Molecular formula chemrof:molecular_formula C15H16F5NO2S2
Molecular mass chemrof:molecular_mass 401.422
Monoisotopic mass chemrof:monoisotopic_mass 401.05426, 401.054262
SMILES string chemrof:smiles_string CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C

Known URLs

15

Where 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=97886-45-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81987 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.131.988 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9032379 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB15230 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1902931 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2TXF17HAV1 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J396.501E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18826 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18826 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=155358 enrich_references.pubchem_identifier_url
ppdb ppdb:259 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91757 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q5283665 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dithiopyr enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
64b1ce3e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-8f86-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ca34527a-88ea-4070-8cf8-f7e8a03a89a8 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-8f85-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8f87-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-8f84-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-8f82-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9ecc-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e016692a48773c3680ebde8c3b76479153bb194f Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-8f83-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-8f89-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9ecd-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-8f88-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-9f2a-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a6b79a845b6f6621",
  "prefLabel": [
    {
      "@value": "Dithiopyr",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
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