Consensus flow list

Identity

Type
Neutral molecule
CAS
14814-09-6
EC
238-883-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-(triethoxysilyl)propane-1-thiol

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DCQBZYNUSLHVJC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-(triethoxysilyl)propane-1-thiol
Molecular formula chemrof:molecular_formula C9H22O3SSi
Molecular mass chemrof:molecular_mass 238.425
Monoisotopic mass chemrof:monoisotopic_mass 238.105892
SMILES string chemrof:smiles_string CCO[Si](CCCS)(OCC)OCC

Known URLs

9

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=14814-09-6 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=352668-65-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.035.333 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7044479 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188191 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z069RX894N enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J227.201F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/84658 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27294831 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b4699e7f-01db-4c24-99a5-f699f2c412b4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a37ad20c-6ca1-4cf0-8ef7-fc223283e6b1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
94cba991-0eaf-4c03-9a6b-99faf90732cd Environmental → Air → Indoor EF 3.1 kg 2
7ad574a8-9968-4c56-abe9-77d34ebd4b86 Environmental → Air → Long-term EF 3.1 kg 0
e911e383-c9f7-4373-932b-e78ed0fcda93 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
363edd88-0dd7-44b2-8da3-4b4924e3438d Environmental → Air → Unknown EF 3.1 kg 2
a7f549e0-778f-494b-a8c8-81d7f2f5c488 Environmental → Ground → Agricultural EF 3.1 kg 2
e8955a60-b382-4824-b4ba-4ec92e28eecb Environmental → Ground → Non-agricultural EF 3.1 kg 2
05da2ccb-ebf0-41f7-b588-71ad0b24e5f7 Environmental → Ground → Unknown EF 3.1 kg 2
f74e0e60-3388-428e-a49e-1c7d2b77be4a Environmental → Water → Long-term EF 3.1 kg 0
9bd58ff1-fabd-4925-a97c-f83d1537d7e5 Environmental → Water → Ocean EF 3.1 kg 2
fd509317-04be-4620-b437-290f51647483 Environmental → Water → Surface water EF 3.1 kg 2
d2bdd0b0-3594-41ad-a4db-49909fe222aa 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-aa5dd0605173c08d",
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      "@value": "3-(triethoxysilyl)propane-1-thiol",
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  "altLabel": [
    {
      "@value": "(3-Mercaptopropyl)triethoxysilane",
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    },
    {
      "@value": "(3-Thiopropyl)triethoxysilane",
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    },
    {
      "@value": "1-Propanethiol, 3-(triethoxysilyl)-",
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      "@value": "3-(Triethoxysilyl)propyl mercaptan",
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      "@value": "CG-S 323",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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