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2,2'-disulfanediylbis(1,3-benzothiazole)

fo-9f0bfafbebc17bc9

Identity

Type
Neutral molecule
CAS
120-78-5
EC
204-424-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,2'-disulfanediylbis(1,3-benzothiazole)

Alternative labels

80

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AFZSMODLJJCVPP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H
IUPAC name chemrof:IUPAC_name 2,2'-disulfanediylbis(1,3-benzothiazole)
Molecular formula chemrof:molecular_formula C14H8N2S4
Molecular mass chemrof:molecular_mass 332.5
Monoisotopic mass chemrof:monoisotopic_mass 331.95703, 331.957032
SMILES string chemrof:smiles_string c1ccc2sc(SSc3nc4ccccc4s3)nc2c1

Known URLs

27

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=120-78-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53239 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.023 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0505 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020146 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB14201 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=677459 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL508112 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6OK753033Z enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244457 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2934.20.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.004D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=58602 enrich_references.pubchem_identifier_url
patent patent:CN1827608 enrich_references.chebi_xrefs
patent patent:EP0112794 enrich_references.chebi_xrefs
patent patent:EP0135102 enrich_references.chebi_xrefs
patent patent:EP0392052 enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/F2TZDJUA925D enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL508112 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8447 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019705 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/15023086 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18568896 enrich_references.chebi_xrefs
reaxys reaxys:285796 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q2795423 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f21e61e6-e8e3-4f88-9221-2b57f6cab626 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f7b5b518-db60-4f04-b35f-31aed783a782 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0cfbb1f6-b8d8-4b15-9c85-b612d2f48d8e Environmental → Air → Indoor EF 3.1 kg 4
4bcd0426-0638-43be-87b0-6f44a9f4f6f5 Environmental → Air → Long-term EF 3.1 kg 0
3bed8735-55e8-4644-9e28-df3bac8b0936 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0980ddea-c524-454f-a52c-4dca08b8ddd5 Environmental → Air → Unknown EF 3.1 kg 4
f24a86b6-4eab-41cb-83df-8d51898019ee Environmental → Ground → Agricultural EF 3.1 kg 4
137dc874-e6d1-49cf-8e3b-3a391ae92ad5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
064ab631-1d86-4dd4-94bd-c095f8bee8f5 Environmental → Ground → Unknown EF 3.1 kg 4
ef259486-b08b-449e-be21-45bcd88303c3 Environmental → Water → Long-term EF 3.1 kg 0
9b6c4209-be91-4c2d-91ca-126afd10ca68 Environmental → Water → Ocean EF 3.1 kg 4
1163a98f-0297-4e62-a947-2d4836dabcfa Environmental → Water → Surface water EF 3.1 kg 4
b2ec9cc6-1fdc-4531-a5d0-5f4faab7633b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9f0bfafbebc17bc9",
  "prefLabel": [
    {
      "@value": "2,2'-disulfanediylbis(1,3-benzothiazole)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Bis(2-benzothiazolyl) disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-78-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Bis(benzo[d]thiazol-2-yl)disulfane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2'-Benzothiazyl disulfide",
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      }
    },
    {
      "@value": "2,2'-Bis(benzothiazolyl) disulfide",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,2'-Dibenzothiazyl disulfide",
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      "provenance": {
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      }
    },
    {
      "@value": "2,2'-dithiobis(1,3-benzothiazole)",
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    },
    {
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        ],
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    },
    {
      "@value": "2,2′-Benzothiazolyl disulfide",
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    },
    {
      "@value": "2,2′-Benzothiazyl disulfide",
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        ],
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      }
    },
    {
      "@value": "2,2′-Dibenzothiazole disulfide",
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        ],
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      }
    },
    {
      "@value": "2,2′-Dibenzothiazolyl disulfide",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-Dithiobis-1,3-benzothiazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2,2′-Dithiobis[benzothiazole]",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(1,3-Benzothiazol-2-yldisulfanyl)-1,3-benzothiazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2-Benzothiazolyl disulfide",
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        ],
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      }
    },
    {
      "@value": "2-Benzothiazyl disulfide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Mercaptobenzothiazole disulfide",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Accel DM",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-78-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Accel TM",
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          "https://commonchemistry.cas.org/detail?cas_rn=120-78-5"
        ],
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      }
    },
    {
      "@value": "Accelerant DM",
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        ],
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      }
    },
    {
      "@value": "Accelerator DM",
      "@language": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=120-78-5"
        ],
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      }
    },
    {
      "@value": "Accelerator MBTS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=120-78-5"
        ],
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      }
    },
    {
      "@value": "Altax",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=120-78-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzothiazole disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_53239"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzothiazole, 2,2′-dithiobis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:120-78-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-78-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "benzothiazolyl disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_53239"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "benzothiazyl disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_53239"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Bis(2-benzothiazolyl) disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_53239"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Bis(2-benzothiazyl) disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_53239"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Bis(benzothiazol-2-yl)disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=120-78-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(benzothiazolyl) disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_53239"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "BTS-SBT",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_53239"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "di(1,3-benzothiazol-2-yl) disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_53239"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Di-2-benzothiazolyl disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=120-78-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibenzothiazolyl disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_53239"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dibenzothiazolyl disulphide",
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