Ethionamide
fo-f7b39c9f72588d05
Identity
- Type
- Neutral molecule
- CAS
- 536-33-4
- EC
- 208-628-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
48- 1314TH
- 2-Ethyl-4-pyridinecarbothioamide
- 2-Ethyl-4-thiocarbamoylpyridine
- 2-ethyl-4-thiopyridylamide
- 2-Ethylisonicotinic acid thioamide
- 2-Ethylisonicotinothioamide
- 2-Ethylisothionicotinamide
- 2-ethylpyridine-4-carbothioamide
- 2-Ethylpyridine-4-thiocarboxamide
- 2-Ethylthioisonicotinamide
- 4-Pyridinecarbothioamide, 2-ethyl-
- Amidazine
- Ethina
- Ethinamide
- ethionamidum
- Ethioniamide
- Ethylisothiamide
- Ethyonomide
- Etimid
- Etionamid
- etionamida
- Etionamide
- Etioniamid
- Etionid
- Etionizin
- Etionizine
- ETP
- F.I. 58-30
- Iridocin
- Iridocin Bayer
- Iridozin
- Isonicotinamide, 2-ethylthio-
- Isonicotinimidic acid, 2-ethylthio-
- MeSH ID: D005000
- Nizotin
- Sertinon
- Teberus
- Thianid
- Thianide
- Thiodine
- Tianid
- Tiomid
- Trecator
- Trecator SC
- Trekator
- Trescatyl
- α-Ethylisothionicotinamide
- α-Ethylthioisonicotinamide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | AEOCXXJPGCBFJA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) |
| IUPAC name chemrof:IUPAC_name | 2-ethylpyridine-4-carbothioamide |
| Molecular formula chemrof:molecular_formula | C8H10N2S |
| Molecular mass chemrof:molecular_mass | 166.249 |
| Monoisotopic mass chemrof:monoisotopic_mass | 166.056469, 166.05647 |
| SMILES string chemrof:smiles_string | CCc1cc(C(N)=S)ccn1 |
Known URLs
32Where 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=536-33-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4885 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.007.846 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0020577 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00609 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00609 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1083 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1083 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=255115 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757028 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1441 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OAY8ORS3CQ | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0014747 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.066D | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07665 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00591 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07665 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00591 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-5620 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42938 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47522 | enrich_references.pubchem_identifier_url |
| patent | patent:GB800250 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA164768738 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1441 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/2761171 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=007656 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/14651620 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15673755 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15850780 | enrich_references.chebi_xrefs |
| reaxys | reaxys:116474 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q414767 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Ethionamide | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0d79ece3-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9f96-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 9adc0997-d629-4187-9822-339e8541b3c0 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9f95-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8ffa-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9f94-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ff9-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ffe-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9f93-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ffc-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8fff-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ffb-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| e598963eba175702e8d9233430f2fc820febd571 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-8ffd-0050c2490048 | 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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{
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},
{
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},
{
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{
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{
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},
{
"@value": "Etionamid",
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},
{
"@value": "etionamida",
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{
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},
{
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{
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},
{
"@value": "Etionizin",
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},
{
"@value": "Etionizine",
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},
{
"@value": "ETP",
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{
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},
{
"@value": "Iridocin",
"@language": "en",
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},
{
"@value": "Iridocin Bayer",
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},
{
"@value": "Iridozin",
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},
{
"@value": "Isonicotinamide, 2-ethylthio-",
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},
{
"@value": "Isonicotinimidic acid, 2-ethylthio-",
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},
{
"@value": "MeSH ID: D005000",
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},
{
"@value": "Nizotin",
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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