Benzyl Thiocyanate
fo-415d2eb75d24ac28
Identity
- Type
- Neutral molecule
- CAS
- 3012-37-1
- EC
- 221-144-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
8- (Thiocyanatomethyl)benzene
- alpha-Thiocyanatotoluene
- Solvat 14
- Thiocyanic acid benzyl ester
- Thiocyanic acid, benzyl ester
- Thiocyanic acid, phenylmethyl ester
- Tropeolin
- α-Thiocyanatotoluene
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ABNDFSOIUFLJAH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| IUPAC name chemrof:IUPAC_name | Benzyl Thiocyanate |
| Molecular formula chemrof:molecular_formula | C8H7NS |
| Molecular mass chemrof:molecular_mass | 149.218 |
| Monoisotopic mass chemrof:monoisotopic_mass | 149.02992 |
| SMILES string chemrof:smiles_string | N#CSCc1ccccc1 |
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 |
|---|---|---|
| beilstein | beilstein:1859726 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=3012-37-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16017 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.019.223 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5020156 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=130266 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1729 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2251721 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YX8TAO9O90 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0034273 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.663E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C02660 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C02660 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46465 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/18170 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=543492 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q18341008 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0ee2aebd-4673-4434-8fdf-056d6e065c14 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| fa7388d7-aa8d-4ae2-88fa-dadbc3d89e14 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| fd81400f-1534-467f-b9d9-f8cbe6d8a6c7 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| 6033237c-fcdc-41ad-8d90-7f13ecbcc931 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| da8abcd9-a453-439a-b635-a20cd879f8e2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| a7c9e135-f40a-419e-8955-c44500f8df19 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| c2a9b5ad-a116-405a-ba6f-1b9bc0531ebb | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| a0c34260-b275-458d-981f-3f8fe781420f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 450de530-1cd3-417a-bcb1-5ac91bd447e1 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 153a655f-638f-40ee-8317-0e0a6502e3c8 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3edd91f8-8d07-4142-acec-49ce3faf3b2e | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 11ae0753-35ff-460e-a5b3-61f3dc9f1dd8 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| ee413048-b164-4c7a-bc22-51f1c2f4a394 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"reason": "",
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],
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],
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"@value": [
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"@type": [
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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