Consensus flow list

Identity

Type
NeutralMolecule
CAS
34708-08-2
EC
252-161-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-(triethoxysilyl)propyl Thiocyanate

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HKMVWLQFAYGKSI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-(triethoxysilyl)propyl Thiocyanate
Molecular formula chemrof:molecular_formula C10H21NO3SSi
Molecular mass chemrof:molecular_mass 263.435
Monoisotopic mass chemrof:monoisotopic_mass 263.101141
SMILES string chemrof:smiles_string CCO[Si](CCCSC#N)(OCC)OCC

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=34708-08-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.047.405 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5044659 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LFK8NDL8UF enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.957A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/118718 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27282960 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9e9f10c5-ff1a-4172-97a5-88c4f42d7128 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c4286da5-0a4c-4bc6-a7a5-6839d2526966 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fc38e759-1f4e-43c3-a921-5a134177c32b Environmental → Air → Indoor EF 3.1 kg 2
0099d236-3894-4060-922a-a50d9de2e392 Environmental → Air → Long-term EF 3.1 kg 0
94c9f452-34ff-4678-b00c-c3eeaccebbec Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3a75eb94-f231-4d8c-bb28-89b77e402ca9 Environmental → Air → Unknown EF 3.1 kg 2
32156f17-8d78-478d-8ab6-c5e0b981c166 Environmental → Ground → Agricultural EF 3.1 kg 2
036b63c8-60d4-4dc6-8f67-1ab86cab3c76 Environmental → Ground → Non-agricultural EF 3.1 kg 2
918716f1-3f1e-4e63-a489-3d704d1d6318 Environmental → Ground → Unknown EF 3.1 kg 2
d24549b3-087a-432f-8406-919f21db88be Environmental → Water → Long-term EF 3.1 kg 0
13b6ec6a-8f9b-4841-9ea1-1e35b238fbc9 Environmental → Water → Ocean EF 3.1 kg 2
c83c507d-3d2e-4016-ad9c-b222b912c5e5 Environmental → Water → Surface water EF 3.1 kg 2
4f1bc3ea-7de5-49ba-8ced-689b4da5aa29 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-4a87d6b77794aef2",
  "prefLabel": [
    {
      "@value": "3-(triethoxysilyl)propyl Thiocyanate",
      "@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": "(3-Thiocyanatopropyl)triethoxysilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:34708-08-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=34708-08-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(Thiocyanatopropyl)triethoxysilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:34708-08-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=34708-08-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(γ-Thiocyanatopropyl)triethoxysilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=34708-08-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Triethoxysilylpropyl thiocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "SIT 7908.0",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thiocyanic acid, 3-(triethoxysilyl)propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Triethoxy(3-thiocyanatopropyl)silane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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  "properties": {
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        "C10H21NO3SSi"
      ],
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        ]
      },
      "rdfs:label": "Molecular formula",
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    },
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      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
      "provenance": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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      ],
      "attested_by": {
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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        ]
      },
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  },
  "references": [
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  "created_from": {
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    "seed_uuid": "0099d236-3894-4060-922a-a50d9de2e392",
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  "parent_flow_object_id": null,
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  "@type": [
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}

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