Consensus flow list

Identity

Type
Neutral molecule
CAS
75-66-1
EC
200-890-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-methylpropane-2-thiol

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WMXCDAVJEZZYLT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3
IUPAC name chemrof:IUPAC_name 2-methylpropane-2-thiol
Molecular formula chemrof:molecular_formula C4H10S
Molecular mass chemrof:molecular_mass 90.191
Monoisotopic mass chemrof:monoisotopic_mass 90.050321
SMILES string chemrof:smiles_string CC(C)(C)S

Known URLs

12

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=75-66-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.810 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0019 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0026418 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=229569 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182458 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/489PW92WIV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.161K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6387 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2347 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q973473 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tert-Butylthiol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
82a16739-850c-4efc-941b-db15d1e44f35 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0ff85a0f-5ceb-4965-b45a-d21d834fc656 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
dc5cfe53-8c64-40ed-a98c-4e8a29d5a2f1 Environmental → Air → Indoor EF 3.1 kg 4
0299ed7c-0bb9-45e0-bde8-16fafdf8de62 Environmental → Air → Long-term EF 3.1 kg 0
d5c445d3-3120-4caa-9133-a282754965db Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
58c5cb94-429b-4e6c-bbfb-c08e16fc5691 Environmental → Air → Unknown EF 3.1 kg 4
c93cd22d-8bc8-470f-ac6d-980762fcda7c Environmental → Ground → Agricultural EF 3.1 kg 4
a9ecb512-a23d-47d4-99e8-64eb16851eb1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
093216ae-b3c5-45ad-b568-44fa93193ab4 Environmental → Ground → Unknown EF 3.1 kg 4
b17e0dc9-8d23-483a-b153-b31a9811b1d3 Environmental → Water → Long-term EF 3.1 kg 0
6943168b-9fc7-466e-b76d-6fe23221833b Environmental → Water → Ocean EF 3.1 kg 4
1a093d99-0721-4717-8ea2-fbe5747cf03b Environmental → Water → Surface water EF 3.1 kg 4
91b64911-5553-4d65-aa0f-abe690d8608f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
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    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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