S-ethyl N-cyclohexylthiocarbamate
fo-51d88e1be71b9af9
Identity
- Type
- Neutral molecule
- CAS
- 1134-23-2
- EC
- 214-482-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
18- Buranit
- Carbamothioic acid, cyclohexylethyl-, S-ethyl ester
- Carbamothioic acid, N-cyclohexyl-N-ethyl-, S-ethyl ester
- Cycloate
- Cyclohexanecarbamic acid, N-ethylthio-, S-ethyl ester
- Ethyl N-cyclohexyl-N-ethylthiolcarbamate
- Etsan
- Eurex
- Hexylthiocarbam
- Ro-Neet
- Ro-Neet 6E
- Roneet 72LE
- Ronit
- S-Ethyl cyclohexylethylthiocarbamate
- S-Ethyl N-cyclohexyl-N-ethylthiocarbamate
- S-Ethyl N-cyclohexyl-N-ethylthiolcarbamate
- S-Ethyl-N-ethyl-N-cyclohexylthiolcarbamate
- Sabet
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | DFCAFRGABIXSDS-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | N-cyclohexyl-N-ethyl-thiocarbamic acid S-ethyl ester, N-cyclohexyl-N-ethylcarbamothioic acid S-ethyl ester, S-ethyl N-cyclohexyl-N-ethyl-carbamothioate, S-ethyl N-cyclohexyl-N-ethylcarbamothioate |
| Molecular formula chemrof:molecular_formula | C11H21NOS |
| Molecular mass chemrof:molecular_mass | 215.362 |
| Monoisotopic mass chemrof:monoisotopic_mass | 215.134385, 215.13439 |
| SMILES string chemrof:smiles_string | CCSC(=O)N(CC)C1CCCCC1 |
Known URLs
14Where 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=1134-23-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81955 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.013.166 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6032356 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1889969 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IMZ37NA07H | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0250636 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.271K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18780 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18780 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:188 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/14337 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3082 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q1147426 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0d185ca4-fe28-4832-b7ea-d8def337525b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| ba21bb40-0373-490c-a810-3a9726e8b03a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| fc3532a5-b35e-4b27-b34e-bae5b43d7b76 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| f25ae8e0-8a97-4e02-a8ca-ac06e35c3bc6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| eb14178c-cc17-4f23-b1d0-64f8e57effa0 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| f987dd43-7e5b-4d48-addf-871232ea9147 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| a135567a-c1ce-4c86-ac6e-a771ba00cd0a | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 1ae5c7d2-b17d-4163-baf2-2c29b767a95e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 7de205daf30bd20fd10fc162d9e3746abcdc47d4 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 0ea6fcf1-91ba-43c9-862d-3db39ed96274 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| f5c2df50-8beb-40a7-9dba-2b502e542350 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| bc321f21-f246-42f6-9e01-6b5559257c61 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| d0632dbe-7c25-4df4-ba75-a02c6a816922 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| e921465e-964f-490f-99ba-162d52101166 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 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