Brightway Flows 1.0
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Ethanethioic S-acid

fo-e39886a6daf8d7b1

Identity

Type
Neutral molecule
CAS
507-09-5
EC
208-063-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Ethanethioic S-acid

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DUYAAUVXQSMXQP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
IUPAC name chemrof:IUPAC_name Ethanethioic S-acid
Molecular formula chemrof:molecular_formula C2H4OS
Molecular mass chemrof:molecular_mass 76.12
Monoisotopic mass chemrof:monoisotopic_mass 75.998286, 75.99829
SMILES string chemrof:smiles_string CC(=O)S

Known URLs

19

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=507-09-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16555 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.331 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5060142 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/thioacetic-acid enrich_references.pubchem_identifier_url
gmelin gmelin:49262 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PS92MLC0FQ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031188 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.909B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01857 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01857 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C03939 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50543 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10484 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2436 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23298036 enrich_references.chebi_xrefs
reaxys reaxys:773684 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q423721 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Thioacetic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a510b233-be3f-4e38-9fca-6b22199b9cc7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8c14f1e4-2088-4cf9-b2be-67ce6ce086b3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fdc4a5d0-82d2-41de-9723-245e7f482187 Environmental → Air → Indoor EF 3.1 kg 2
5d1e1da1-200d-4fb0-9a5f-f75c236d864c Environmental → Air → Long-term EF 3.1 kg 0
e28f8363-7cbd-4156-b544-ac1b9096b5fd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a547ba3c-8403-4add-b6a6-9cbf74a6ae47 Environmental → Air → Unknown EF 3.1 kg 2
758803e3-7ff5-44b2-85a9-ecc3727f20e7 Environmental → Ground → Agricultural EF 3.1 kg 2
3f26016a-400a-4797-a97b-f5671a3483c0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f295332b-ba86-4523-8ceb-00239d9ad090 Environmental → Ground → Unknown EF 3.1 kg 2
256704e6-3d2b-42e1-8601-484e2f3e826e Environmental → Water → Long-term EF 3.1 kg 0
a33fb1ba-0664-4a96-8a2f-97d77f253f22 Environmental → Water → Ocean EF 3.1 kg 2
4f72c801-9f99-4226-b687-d438f6c7872f Environmental → Water → Surface water EF 3.1 kg 2
36a0c01d-8990-44f4-8dfa-0419620ad647 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-e39886a6daf8d7b1",
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}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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