Consensus flow list

Identity

Type
Neutral molecule
CAS
80-12-6
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tetramethylenedisulfotetramine

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AGGKEGLBGGJEBZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H8N4O4S2/c9-13(10)5-1-6-3-8(13)4-7(2-5)14(6,11)12/h1-4H2
IUPAC name chemrof:IUPAC_name 2,6-Dithia-1,3,5,7-tetraazaadamantane, 2,2,6,6-tetraoxide
Molecular formula chemrof:molecular_formula C4H8N4O4S2
Molecular mass chemrof:molecular_mass 240.266
Monoisotopic mass chemrof:monoisotopic_mass 239.998697
SMILES string chemrof:smiles_string O=S1(=O)N2CN3CN1CN(C2)S3(=O)=O

Known URLs

10

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=80-12-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.231.255 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8040307 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=172824 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F6TS3WME05 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258920 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163710 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/64148 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q7706590 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tetramethylenedisulfotetramine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9d92278c-da7f-481c-9eeb-96bf339cedeb Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5e3b3f8f-5b1e-4844-8cd7-5f87727cea9c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
aa66c812-a949-44a0-aa5e-afc006f5118f Environmental → Air → Indoor EF 3.1 kg 2
16e2849e-0482-4109-8195-e90e86a15446 Environmental → Air → Long-term EF 3.1 kg 0
614a9bc3-55e1-4eae-bb9f-c3927b681d33 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
427a9065-0ae7-4067-9d45-f36925fb700d Environmental → Air → Unknown EF 3.1 kg 2
06b855ba-282d-47b0-9e7d-b1f86c110c56 Environmental → Ground → Agricultural EF 3.1 kg 2
8b496b7c-8ab1-49c0-b3ec-9abf853dba96 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9f2dc184-6da7-4258-b780-ee58f7713448 Environmental → Ground → Unknown EF 3.1 kg 2
d298dded-2607-4dcb-9015-d9a420fbd41b Environmental → Water → Long-term EF 3.1 kg 0
67f1328a-6d84-4bc9-b595-15bbd6f50ede Environmental → Water → Ocean EF 3.1 kg 2
396168e9-ce40-4647-aaa8-fd49cf0d3792 Environmental → Water → Surface water EF 3.1 kg 2
4d339a20-bde6-45b0-bcce-2b8bbbd2a269 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-c9acbd73d787779c",
  "prefLabel": [
    {
      "@value": "Tetramethylenedisulfotetramine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,6-Dithia-1,3,5,7-tetraazaadamantane, 2,2,6,6-tetraoxide",
      "@language": "en",
      "@lang": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=80-12-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dithia-1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane, 2,2,6,6-tetraoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dithia-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane 2,2,6,6-tetroxide",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetramethylenedisulphotetramine",
      "@language": "en",
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    },
    {
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