Thiocyclam
fo-5ce9e2a56ef16e5f
Identity
- Type
- Neutral molecule
- CAS
- 31895-21-3
- EC
- —
- Origin
- ecoinvent-3.12 hybrid_name_cas_v1
- Changes
- 0 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 |
| insecticide CHEBI:24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | 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
4- 5-(dimethylamino)-1,2,3-trithiane
- N,N-dimethyl-1,2,3-trithian-5-amine
- N,N-dimethyl-1,2,3-trithian-5-ylamine
- thiocyclame
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | DNVLJEWNNDHELH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 5-(dimethylamino)-1,2,3-trithiane |
| Molecular formula chemrof:molecular_formula | C5H11NS3 |
| Molecular mass chemrof:molecular_mass | 181.351 |
| Monoisotopic mass chemrof:monoisotopic_mass | 181.00536, 181.005362 |
| SMILES string chemrof:smiles_string | CN(C)C1CSSSC1 |
Known URLs
8Where 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=31895-21-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4947 | enrich_references.chebi_id_link |
| KEGG | https://www.genome.jp/entry/C11473 | enrich_references.chebi_xrefs |
| pesticides | pesticides:thiocyclam | enrich_references.chebi_xrefs |
| ppdb | ppdb:1065 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20725716 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23961080 | enrich_references.chebi_xrefs |
| reaxys | reaxys:4738857 | enrich_references.chebi_xrefs |
Elementary flows
7| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d907f6b886b72bcb500a9131a52db1234fcfa9d7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | ecoinvent algorithm addition | kg | 0 |
| 6f77c91a9f639ea498aa6e2e1259f96cc008cb59 | Environmental → Air → Unknown | ecoinvent algorithm addition | kg | 0 |
| 16bda5ca5acb4bbdb06673cb6d4137671b08c37b | Environmental → Ground → Agricultural | ecoinvent algorithm addition | kg | 0 |
| 17fba1707614bc52313e8196fd9441cc49ad0c4c | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 82f9fe57f33a37c64c177288e1362136f6ff96d5 | Environmental → Ground → Unknown | ecoinvent algorithm addition | kg | 0 |
| e946497cc2d4d95605d5a8ac6f4dc76ec1d72a5d | Environmental → Water → Surface water | ecoinvent algorithm addition | kg | 0 |
| 3be907b1d76ce475071d294149c2cdf3d5deb597 | Environmental → Water → Unknown | ecoinvent algorithm addition | kg | 0 |
History
Everything that changed this substance (0 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