Benzthiazuron
fo-955bdb7ac2819714
Identity
- Type
- Neutral molecule
- CAS
- 1929-88-0
- EC
- 217-685-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
9- 1-(1,3-Benzothiazol-2-yl)-3-methyl urea
- 1-(2-Benzothiazolyl)-3-methylurea
- 1-(Benzo[d]thiazol-2-yl)-3-methylurea
- 1-Methyl-3-(2-benzothiazolyl)urea
- Gatnon
- N-2-Benzothiazolyl-N′-methylurea
- N-Methyl-N′-(2-benzothiazolyl)urea
- Urea, 1-(2-benzothiazolyl)-3-methyl-
- Urea, N-2-benzothiazolyl-N′-methyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | DTCJYIIKPVRVDD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13) |
| IUPAC name chemrof:IUPAC_name | 1-(1,3-Benzothiazol-2-yl)-3-methyl urea |
| Molecular formula chemrof:molecular_formula | C9H9N3OS |
| Molecular mass chemrof:molecular_mass | 207.258 |
| Monoisotopic mass chemrof:monoisotopic_mass | 207.04663, 207.046633 |
| SMILES string chemrof:smiles_string | CNC(=O)Nc1nc2ccccc2s1 |
Known URLs
12Where 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=1929-88-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82185 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.016.079 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8041662 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=202513 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I9612759PA | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.538I | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19058 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19058 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1116 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16007 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q22713649 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| cc7755b6-8588-412b-980f-bea7ae8bdafe | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 909a8aaa-6255-4f5b-9259-3c581f123d7f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 673a176e-e264-4d86-a49f-19406dfb1283 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 245f68fc-74df-4d79-b7a0-21db12abdea8 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f6995e6b-7093-4933-bc02-a760037effbb | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| bc19536c-4791-44c1-8f7e-6be77c1f97b6 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 3f657cb1-cd61-4cb3-a02e-181d47df7e2e | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 94e7a220-7240-498f-9940-c432ece7981a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 6ac2f2a9ca75763239211c706a04a9c178230ea4 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| af5999ae-b84b-4dd1-bcc8-7c805dcc9f4c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 3555593a-3b66-4a6d-9da2-52f0c823a488 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 95320c54-1d1b-4b96-b464-0d8422994713 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 5eeb1d88-de56-450c-8e9a-bdf0f26f3bc0 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 41934fda-2252-4494-b282-9fe64d271521 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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"seed_uuid": "245f68fc-74df-4d79-b7a0-21db12abdea8",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"1929-88-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=1929-88-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1929-88-0"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"217-685-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=217-685-9"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}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