Consensus flow list

Identity

Type
Neutral molecule
CAS
107-03-9
EC
203-455-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Propane-1-thiol

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SUVIGLJNEAMWEG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name Propane-1-thiol
Molecular formula chemrof:molecular_formula C3H8S
Molecular mass chemrof:molecular_mass 76.164
Monoisotopic mass chemrof:monoisotopic_mass 76.03467, 76.034671
SMILES string chemrof:smiles_string CCCS

Known URLs

22

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=107-03-9 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/TZ6F63A0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8473 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.142 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1492 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5026750 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1236818 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/propanethiol enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4AB0N08V2H enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034238 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.046K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C08390 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C08390 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001267 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46440 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:XL3 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7848 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2402 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16748484 enrich_references.chebi_xrefs
reaxys reaxys:1696860 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q161679 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Propanethiol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d55a4591-b36d-412c-9857-c6a5369e8088 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8ceba83c-d6a3-4bc8-b2c6-c2898b14683d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
faffeee4-b3b6-424f-be73-01481a4b8dd9 Environmental → Air → Indoor EF 3.1 kg 2
a3eb9704-143c-46e1-a5bf-cd438bba232e Environmental → Air → Long-term EF 3.1 kg 0
a075a340-e1da-4eb8-bf5a-7e8af51dc86d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b66104c7-cec9-45cb-be44-fe3366bfea53 Environmental → Air → Unknown EF 3.1 kg 2
0407239c-1493-4c93-8cf7-324c98e9d440 Environmental → Ground → Agricultural EF 3.1 kg 2
a9b409f1-646c-4bfd-884a-e17a37ac4f35 Environmental → Ground → Non-agricultural EF 3.1 kg 2
dd0bce5f-a547-433c-b9dd-b1a3167b37df Environmental → Ground → Unknown EF 3.1 kg 2
edd026d2-dd83-4c7f-9690-037cc95efbfb Environmental → Water → Long-term EF 3.1 kg 0
c8fc471f-b6f7-4e4e-bdd8-7c5534105309 Environmental → Water → Ocean EF 3.1 kg 2
27b5d646-d251-4a7f-a1e7-fcb8f1f7e8c7 Environmental → Water → Surface water EF 3.1 kg 2
36a659fb-542f-4d2c-af7e-cfd65d7ebb81 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
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    {
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