Bitoscanate
fo-5e9bde4fe21fda7f
Identity
- Type
- Neutral molecule
- CAS
- 4044-65-9
- EC
- 223-741-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
11- 1,4-Diisothiocyanatobenzene
- 1,4-phenylenediisothiocyanate
- 1,4-Phenylenedithioisocyanate
- Benzene, 1,4-diisothiocyanato-
- bitoscanat
- Isothiocyanic acid, p-phenylene ester
- Jonit
- p-Phenylene bisisothiocyanate
- p-Phenylene diisothiocyanate
- PDITC
- Phenylene-1,4-diisothiocyanate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | OMWQUXGVXQELIX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H |
| IUPAC name chemrof:IUPAC_name | 1,4-Diisothiocyanatobenzene |
| Molecular formula chemrof:molecular_formula | C8H4N2S2 |
| Molecular mass chemrof:molecular_mass | 192.268 |
| Monoisotopic mass chemrof:monoisotopic_mass | 191.98159 |
| SMILES string chemrof:smiles_string | S=C=Nc1ccc(N=C=S)cc1 |
Known URLs
16Where 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=4044-65-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134845 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.021.584 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3046532 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB20122 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:3033 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/3033 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758884 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2104676 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6D1R3P86GX | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.674F | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C72149 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/19958 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2928 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q4918921 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Bitoscanate | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| bd94789a-0e36-40b5-92ec-6f8e635aec18 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 8fb46a8d-74a8-48da-a5ce-5071a2d34e7d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| a109a5fb-d0de-48ad-ae76-9375a3d03ebc | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 75e66bbd-ed55-48af-a2de-c26cd0a34380 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f53b8b20-3f0c-4506-8f25-b84ebf3b24d4 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 121debe8-e7f4-4ceb-9850-0b4956158d3b | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d50d04cb-67e1-43a4-bd69-f283007b409e | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| dc08ddd1-352f-4384-a171-b1ca9f288ba0 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 3ece44f4-717a-4502-aff2-04f26e870045 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 75de8191-1363-47b9-8bb3-75c3a5a064e7 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1034182b-7577-49a3-9c2f-f98ade0ba0e8 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| d1ca2cab-a1b6-4161-8c18-c5160793809d | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 446942cf-7116-4b6b-a880-240025082112 | 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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}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