Brightway Flows 1.0
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5-amino-3-methyl-2,4-thiophenedicarbonitrile

fo-c4fa513dfeac9d32

Identity

Type
Neutral molecule
CAS
52603-48-2
EC
610-868-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 5-amino-3-methyl-2,4-thiophenedicarbonitrile

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GCSCENSWKWQJQG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5N3S/c1-4-5(2-8)7(10)11-6(4)3-9/h10H2,1H3
IUPAC name chemrof:IUPAC_name 5-amino-3-methyl-2,4-thiophenedicarbonitrile
Molecular formula chemrof:molecular_formula C7H5N3S
Molecular mass chemrof:molecular_mass 163.205
Monoisotopic mass chemrof:monoisotopic_mass 163.020418
SMILES string chemrof:smiles_string Cc1c(C#N)sc(N)c1C#N

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=52603-48-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.107.879 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90967032 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y9IXO9SXIQ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.168.185G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/819555 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27294411 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c06e1982-66fb-48a9-bb43-a00575e59a31 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d0c2b42f-0066-40a3-a59b-500248456736 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7bd146e1-b661-4f7e-8f75-eca85907b8e0 Environmental → Air → Indoor EF 3.1 kg 2
4e333c4b-7bfc-4866-b6ee-b86f94d397bb Environmental → Air → Long-term EF 3.1 kg 0
e7100a1f-c5cf-488c-b1de-837ef1080d79 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9edc93f9-9261-4107-ae99-b81f32764c98 Environmental → Air → Unknown EF 3.1 kg 2
59cc865b-896f-418d-965f-645aec8c9bf0 Environmental → Ground → Agricultural EF 3.1 kg 2
3dfc2c82-b216-4ece-8ca7-ba9601fe37e1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c29db659-648b-4f70-acdd-94f00b8a137b Environmental → Ground → Unknown EF 3.1 kg 2
89e3bb46-86f7-4bcc-ba65-b4b25ebd4924 Environmental → Water → Long-term EF 3.1 kg 0
bb8fd581-1070-4fe6-a3ca-04709905c621 Environmental → Water → Ocean EF 3.1 kg 2
c7143fb8-0fd3-4fd7-8df3-1626e1d234df Environmental → Water → Surface water EF 3.1 kg 2
66a46d7c-4528-4735-a536-a6c73c5d60e5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-c4fa513dfeac9d32",
  "prefLabel": [
    {
      "@value": "5-amino-3-methyl-2,4-thiophenedicarbonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4-Thiophenedicarbonitrile, 5-amino-3-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-3,5-dicyano-4-methylthiophene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  "properties": {
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        "C7H5N3S"
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      "provenance": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    },
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      "rdfs:label": "Molecular mass",
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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      "provenance": {
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  ],
  "created_from": {
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    "seed_uuid": "3dfc2c82-b216-4ece-8ca7-ba9601fe37e1",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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      "rdfs:seeAlso": [
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  "origin_qualifier": null,
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}

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