Carbamic Acid, [2-(phenylthio)phenyl]-, Phenyl Ester
fo-d7e43575b972b632
Identity
- Type
- Neutral molecule
- CAS
- 111974-73-3
- EC
- 601-145-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
2- Carbamic acid, N-[2-(phenylthio)phenyl]-, phenyl ester
- Phenyl [2-(phenylthio)phenyl]carbamate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | FWULFEHVLSQUBD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C19H15NO2S/c21-19(22-15-9-3-1-4-10-15)20-17-13-7-8-14-18(17)23-16-11-5-2-6-12-16/h1-14H,(H,20,21) |
| IUPAC name chemrof:IUPAC_name | Carbamic Acid, [2-(phenylthio)phenyl]-, Phenyl Ester |
| Molecular formula chemrof:molecular_formula | C19H15NO2S |
| Molecular mass chemrof:molecular_mass | 321.401 |
| Monoisotopic mass chemrof:monoisotopic_mass | 321.08235 |
| SMILES string chemrof:smiles_string | O=C(Nc1ccccc1Sc1ccccc1)Oc1ccccc1 |
Known URLs
7Where 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=111974-73-3 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.115.020 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.133.712 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID701283834 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L392A3ASU8 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11209446 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q126673452 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d20bb729-ff26-43ca-88a6-8c2b9a67c0b6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 5e08c069-1f3b-41ce-af77-d56edeb1ddba | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| b6818151-3239-4632-a498-74913edb8def | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| f9cb9fd2-f553-43d3-9052-ad827da6c6b9 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 103b85fa-fe1b-42ad-958c-54d3290a057b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| fb86c775-ea71-45a1-a260-244a59c2d864 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| f2843095-a0a8-4216-82c0-82292ab6396d | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| e788408e-e78e-44da-82ac-ed317e56227a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| c9486ac1-09fb-4814-9451-59be5eb593e0 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 496b913d-a0b5-4fd8-9dab-04633016d3bb | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 29663fa1-2014-455b-ac4f-cc8c844e1102 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| e64e9a22-2d3c-4d6d-a23a-855bc0b1933c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 89e1bd03-d54c-4b5f-8eb9-d9c6a3324190 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 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
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