Propane-1-thiol
fo-07c178ca12d3e442
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
Alternative labels
14- 1-Mercaptopropane
- 1-Propanethiol
- 1-Propyl mercaptan
- 1-Propylmercaptan
- 1-Propylthiol
- n-Propanethiol
- n-Propyl mercaptan
- n-Propylmercaptan
- n-Propylthiol
- n-Thiopropyl alcohol
- Propanethiol
- Propyl mercaptan
- Propylthiol
- Thiopropyl alcohol
Properties
| Property | Value |
|---|---|
| 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
22Where 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 | 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)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
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