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Thionazin

fo-ecf997048268b3e4

Identity

Type
Neutral molecule
CAS
297-97-2
EC
206-049-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
68 across every transformer

Structure

Structure diagram for Thionazin

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IRVDMKJLOCGUBJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H13N2O3PS/c1-3-11-14(15,12-4-2)13-8-7-9-5-6-10-8/h5-7H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name O,O-diethyl O-pyrazin-2-yl Phosphorothioate, diethoxy-(2-pyrazinyloxy)-sulfanylidenephosphorane, diethoxy-pyrazin-2-yloxy-sulfanylidene-lambda5-phosphane, diethoxy-pyrazin-2-yloxy-thioxo-lambda5-phosphane, diethoxy-pyrazin-2-yloxy-thioxo-phosphorane
Molecular formula chemrof:molecular_formula C8H13N2O3PS
Molecular mass chemrof:molecular_mass 248.244
Monoisotopic mass chemrof:monoisotopic_mass 248.03845
SMILES string chemrof:smiles_string CCOP(=S)(OCC)Oc1cnccn1

Known URLs

14

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=297-97-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82165 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.500 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8042470 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KLQ2UIW7HT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.461E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19036 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19036 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144322 enrich_references.pubchem_identifier_url
ppdb ppdb:1253 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9272 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3018 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q7784679 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Thionazin enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
b62bca0c-c91f-4d2f-a8e5-9c44c7d948e9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
884d2464-c301-4254-985a-8b8be2e05396 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d5c7108d-b78f-4739-a13a-c40b88f41cc9 Environmental → Air → Indoor EF 3.1 kg 2
2bb511fb-44eb-4104-804d-5c68e6f9892e Environmental → Air → Long-term EF 3.1 kg 0
a84b1d55-f1bd-4bd4-b90f-b5db16975e81 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0cfc3eff-445e-4a0f-b953-a1792b441604 Environmental → Air → Unknown EF 3.1 kg 2
c7dc7d8a-37ab-43d0-84ce-1ebf2e3e0b01 Environmental → Ground → Agricultural EF 3.1 kg 2
d01095da-5b37-4a2f-aa0b-7eb518f4db70 Environmental → Ground → Non-agricultural EF 3.1 kg 2
1c11f592623cc54976c0f651675cfaf5c726483a Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
1d5f2e5a-7b25-4f16-9ce5-68f3f78d6611 Environmental → Ground → Unknown EF 3.1 kg 2
b48c7f1b-3c53-4c63-81e2-5764bdab7eb3 Environmental → Water → Long-term EF 3.1 kg 0
cda4a5a7-4371-4583-84e1-b63cfe239cb8 Environmental → Water → Ocean EF 3.1 kg 2
cf126251-46a4-4c74-a875-141e2aedaab8 Environmental → Water → Surface water EF 3.1 kg 2
66823870-2b4c-4f28-a4ac-97c4475a9414 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (68 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ecf997048268b3e4",
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