Consensus flow list

Identity

Type
ChemicalSalt
CAS
28783-41-7
EC
249-220-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium Chloride

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QMXCTKPNQFJZGK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,4,8H,1,3,5H2;1H
IUPAC name chemrof:IUPAC_name 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium Chloride
Molecular formula chemrof:molecular_formula C7H10ClNS
Molecular mass chemrof:molecular_mass 175.684
Monoisotopic mass chemrof:monoisotopic_mass 175.022248
SMILES string chemrof:smiles_string [Cl-].c1cc2c(s1)CC[NH2+]C2

Known URLs

7

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=28783-41-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.731 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40951426 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E0HB70DQ7N enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10176342 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/56843625 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27276705 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
809921a7-aa54-4e5b-83ce-1e9386769eab Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7be4e079-6d38-4d93-bb3a-6da536ab0dbc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f5cdcb68-6369-40a6-8fb5-32d26094db98 Environmental → Air → Indoor EF 3.1 kg 2
577541cd-d78e-4bfb-9799-235bf7fce202 Environmental → Air → Long-term EF 3.1 kg 0
b94509b6-1831-4e34-a503-a753bf9033a9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
add40ac7-aaf2-44d0-816a-ba0cdda01075 Environmental → Air → Unknown EF 3.1 kg 2
a2b3df77-f1bf-4237-97fd-cd2c509b9bcb Environmental → Ground → Agricultural EF 3.1 kg 2
d52fd495-5b76-411d-b483-ea9af9f04c0d Environmental → Ground → Non-agricultural EF 3.1 kg 2
1a385aed-45e0-441e-b379-86fdb0bd8c21 Environmental → Ground → Unknown EF 3.1 kg 2
0274878b-0fcd-4711-a088-b828c102ff8a Environmental → Water → Long-term EF 3.1 kg 0
a8933930-cfcc-4694-83a3-28b0af603d29 Environmental → Water → Ocean EF 3.1 kg 2
0017e8b2-7712-48e7-af48-9f5e62d5c500 Environmental → Water → Surface water EF 3.1 kg 2
820175ab-6842-44d3-b3e3-6771a22ce9c2 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-72b45149f6af40e8",
  "prefLabel": [
    {
      "@value": "4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium Chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=28783-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,5,6,7-Tetrahydrothieno[3,2-c]pyridine,hydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thieno[3,2-c]pyridine, 4,5,6,7-tetrahydro-, hydrochloride",
      "@language": "en",
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    },
    {
      "@value": "Thieno[3,2-c]pyridine, 4,5,6,7-tetrahydro-, hydrochloride (1:1)",
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        "C7H10ClNS"
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    },
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    "https://w3id.org/chemrof/IUPAC_name": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "provenance": [
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
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}

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