Thiencarbazone-methyl
fo-306b07be596079a8
Identity
- Type
- Neutral molecule
- CAS
- 317815-83-1
- EC
- 635-659-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
What it is used for
3
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| herbicide CHEBI:24527 | A substance used to destroy plant pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
14- 3-[N-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazole-1-yl)carbonyl]sulfamoyl]-2-methyl-4-thiophenecarboxylic acid methyl ester
- 3-Thiophenecarboxylic acid, 4-[[[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-5-methyl-, methyl ester
- Adengo
- Autumn
- Capreno
- Celsius
- Corvus
- methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methylthiophene-3-carboxylate
- methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate
- methyl 4-[[[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-5-methyl-3-thiophenecarboxylate
- methyl 4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate
- Methyl 4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1h-1,2,4-triazole-1-carbonyl)amino]sulfonyl}-5-methylthiophene-3-carboxylate
- TCM
- Velocity
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | XSKZXGDFSCCXQX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18) |
| IUPAC name chemrof:IUPAC_name | 3-[N-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazole-1-yl)carbonyl]sulfamoyl]-2-methyl-4-thiophenecarboxylic acid methyl ester |
| Molecular formula chemrof:molecular_formula | C12H14N4O7S2 |
| Molecular mass chemrof:molecular_mass | 390.399 |
| Monoisotopic mass chemrof:monoisotopic_mass | 390.03039, 390.030391 |
| SMILES string chemrof:smiles_string | COC(=O)c1csc(C)c1S(=O)(=O)NC(=O)n1nc(OC)n(C)c1=O |
Known URLs
17Where 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 |
|---|---|---|
| agr | agr:IND601309725 | enrich_references.chebi_xrefs |
| agr | agr:IND604666673 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=317815-83-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:145500 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.163.527 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0058275 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1MX00PIM4H | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.183.450C | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:6R5 | enrich_references.chebi_xrefs |
| pesticides | pesticides:/derivatives/thiencarbazone-methyl | enrich_references.chebi_xrefs |
| ppdb | ppdb:1241 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11205153 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24923624 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/28137884 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/28755697 | enrich_references.chebi_xrefs |
| reaxys | reaxys:11327106 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27252628 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 944feec7-5aed-4309-a730-7f19e0acee57 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| a838ebfa-4825-486b-afa5-50239d01799b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 09d99bb4-111e-47d0-8fe3-1bff24f7ba5e | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 37ca7533-bb05-4020-b766-099023e32123 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e1c0b5c0-d0cd-4802-9f83-100f70316c38 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 6dd64f01-e577-4d08-b95b-03adba19af0f | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 8676b070-2b32-4248-9e5c-dd47c38283b4 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| e372a97c-1333-4a11-8a9e-64cac47a6a2f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| facb201ea3181e1900a11f356ce1ac09427a2cc3 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| b4f23e51-d56d-4570-bdde-dca95b0e1ddf | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 796b97b6-c357-4cc4-b5a5-0894cbba1046 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| db493e78-6749-491d-a0a3-8734f2fec7da | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| f14c020a-c6e9-4518-beb2-603a38073786 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| a5fcb672-5755-4cb5-b9aa-a5856150f3af | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (59 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