Consensus flow list

Identity

Type
Neutral molecule
CAS
37052-78-1
EC
253-326-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 5-methoxy-1h-1,3-benzodiazole-2-thiol

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KOFBRZWVWJCLGM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
IUPAC name chemrof:IUPAC_name 5-methoxy-1h-1,3-benzodiazole-2-thiol
Molecular formula chemrof:molecular_formula C8H8N2OS
Molecular mass chemrof:molecular_mass 180.232
Monoisotopic mass chemrof:monoisotopic_mass 180.035734
SMILES string chemrof:smiles_string COc1ccc2[nH]c(S)nc2c1

Known URLs

8

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=37052-78-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.048.463 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20190558 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1509639 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/143562LXX0 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.727A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/665603 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27251572 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8d344105-fba5-4871-abe3-52084f9d8ccb Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ee606858-5ea7-4ba0-a0cf-6196e8c4c12f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6ca34984-b212-4380-9d60-5165e32d6882 Environmental → Air → Indoor EF 3.1 kg 2
3c693ff1-f38c-4c29-8d83-de4992a600bf Environmental → Air → Long-term EF 3.1 kg 0
a47182ad-757a-4024-b916-0c7dd2a4db84 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a4196002-40d3-4038-8c5b-21a912bd711b Environmental → Air → Unknown EF 3.1 kg 2
c424d5a4-a4fc-46be-849d-24c252e4c62e Environmental → Ground → Agricultural EF 3.1 kg 2
b76ead12-6427-405d-a34e-a4d18f9ba82f Environmental → Ground → Non-agricultural EF 3.1 kg 2
2ca0b4ed-5073-494a-8a0a-f6d609603070 Environmental → Ground → Unknown EF 3.1 kg 2
6ffdb715-11bf-4d6e-a835-8ee4400aa5f6 Environmental → Water → Long-term EF 3.1 kg 0
ad58f756-e15f-4dd7-8821-faf2f8b7c969 Environmental → Water → Ocean EF 3.1 kg 2
e1d76e6d-dd58-4a4d-90e8-52dd766ea80a Environmental → Water → Surface water EF 3.1 kg 2
97faccbb-e619-41a5-8d13-2cfb22273108 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-927c62f8dfc3c6ea",
  "prefLabel": [
    {
      "@value": "5-methoxy-1h-1,3-benzodiazole-2-thiol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Dihydro-5-methoxy-2H-benzimidazole-2-thione",
      "@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=37052-78-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Dihydro-5-methoxybenzimidazole-2-thione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Mercapto-5-methoxy-1H-benzimidazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Mercapto-5-methoxybenzimidazole",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Thio-5-methoxy-1H-benzimidazole",
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      }
    },
    {
      "@value": "2H-Benzimidazole-2-thione, 1,3-dihydro-5-methoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "5-Methoxy-1H-benzimidazole-2-thiol",
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        ],
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      }
    },
    {
      "@value": "5-Methoxy-1H-benzo[d]imidazole-2(3H)-thione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
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        "KOFBRZWVWJCLGM-UHFFFAOYSA-N"
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}

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