Brightway Flows 1.0
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Tetrasul

fo-da1c3eb1e38d2871

Identity

Type
Neutral molecule
CAS
2227-13-6
EC
218-761-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tetrasul

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QUWSDLYBOVGOCW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H
IUPAC name chemrof:IUPAC_name 1,2,4-Trichloro-5-[(4-chlorophenyl)thio]benzene
Molecular formula chemrof:molecular_formula C12H6Cl4S
Molecular mass chemrof:molecular_mass 324.059
Monoisotopic mass chemrof:monoisotopic_mass 321.89443, 321.894432
SMILES string chemrof:smiles_string Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1

Known URLs

16

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=2227-13-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82162 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.057 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5020314 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB12838 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1365576 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BEO7JP5U0R enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258931 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.370I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19032 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19032 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=153746 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1365576 enrich_references.pubchem_identifier_url
ppdb ppdb:1275 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16685 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q15632887 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
2fa9e6f9-6df0-425f-ba5f-1e1cc720f275 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4a0c074e-aaab-42ce-9415-40182872c43d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8cb89e40-cfbc-444f-bbe4-8add4a5f8c10 Environmental → Air → Indoor EF 3.1 kg 2
f17cc912-ae89-46e4-86fb-b22898386dad Environmental → Air → Long-term EF 3.1 kg 0
536d4cb6-ff0e-4aa0-9072-2f86baa7b094 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5a874838-5d67-4301-a003-b9f82ac84558 Environmental → Air → Unknown EF 3.1 kg 2
b8f05d5d-bd50-41e7-aca7-fe1c9d99c006 Environmental → Ground → Agricultural EF 3.1 kg 2
3cb45e37-3b19-49ae-b448-ae3ead07a601 Environmental → Ground → Non-agricultural EF 3.1 kg 2
935dff6047f6aabe10c9c53dba002d9747bad104 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
bdbd4d7f-80b2-46ac-870f-2de3726cf678 Environmental → Ground → Unknown EF 3.1 kg 2
09e8f605-7962-4359-b687-43b60966328f Environmental → Water → Long-term EF 3.1 kg 0
8228a23a-bcdb-46b8-aaae-819638c89d43 Environmental → Water → Ocean EF 3.1 kg 2
6d244d41-c42a-4858-8c34-9769a6a5f755 Environmental → Water → Surface water EF 3.1 kg 2
d78f57b8-370d-4ec9-af88-652caeb1753c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-da1c3eb1e38d2871",
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    {
      "@value": "Tetrasul",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
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    },
    {
      "@value": "2,4,4′,5-Tetrachlorodiphenyl sulfide",
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    {
      "@value": "4-Chlorophenyl 2,4,5-trichlorophenyl sulfide",
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    },
    {
      "@value": "Sulfide, p-chlorophenyl 2,4,5-trichlorophenyl",
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    },
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      "@value": "Tetradisul",
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}

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