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2,5-thiophenyl-thiophene

fo-508d6d424ea34e83

Identity

Type
Neutral molecule
CAS
1081-34-1
EC
640-441-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,5-thiophenyl-thiophene

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KXSFECAJUBPPFE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H
IUPAC name chemrof:IUPAC_name 2,2':5',2''-terthiophene
Molecular formula chemrof:molecular_formula C12H8S3
Molecular mass chemrof:molecular_mass 248.397
Monoisotopic mass chemrof:monoisotopic_mass 247.97881, 247.978813
SMILES string chemrof:smiles_string c1csc(-c2ccc(-c3cccs3)s2)c1

Known URLs

18

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
beilstein beilstein:178604 enrich_references.chebi_xrefs
beilstein beilstein:8392779 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1081-34-1 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=99611-76-4 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:10335 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.168.218 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2041206 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL90017 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0P77RAU2RR enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245378 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J102.960F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C08460 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C08460 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001294 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53529 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/65067 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=004370 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q3491255 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
27a6c66b-e41f-47ce-85c4-f99b4c0099b6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
36cf3992-e75c-4dc6-b082-247d71e66743 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a1db3d57-60a9-4996-8a0f-7404704b4f8c Environmental → Air → Indoor EF 3.1 kg 2
50e40dbe-13c9-48b5-8c48-df00d2fd1788 Environmental → Air → Long-term EF 3.1 kg 0
34a9fec3-b38f-44ee-a239-2cb3cba4c040 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6014f990-87e9-4049-a94b-b2b543d64647 Environmental → Air → Unknown EF 3.1 kg 2
1bcc86b1-34df-4c16-bc55-1158d5a541d2 Environmental → Ground → Agricultural EF 3.1 kg 2
bb25cd2c-88e4-4c03-a234-b42e676701d7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6c86e2bc-c424-469f-bddb-b9b6e61b4e28 Environmental → Ground → Unknown EF 3.1 kg 2
0f9f7380-2ff6-4c1c-8974-c671db8b45be Environmental → Water → Long-term EF 3.1 kg 0
cdd0844b-0c65-4864-9ef6-d499f60c1329 Environmental → Water → Ocean EF 3.1 kg 2
751688a5-0286-4125-8fe5-780b6544a23f Environmental → Water → Surface water EF 3.1 kg 2
2fcc6a24-6ac4-4cda-b030-fe3122586871 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-508d6d424ea34e83",
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