Sulfallate
fo-6bbf19cbdd0ea546
Identity
- Type
- Neutral molecule
- CAS
- 95-06-7
- EC
- 202-388-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
14- 2-Chlorallyl diethyldithiocarbamate
- 2-Chloroallyl diethylcarbamodithioate
- 2-Chloroallyl diethyldithiocarbamate
- 2-Chloroallyl N,N-diethyldithiocarbamate
- Carbamic acid, diethyldithio-, 2-chloroallyl ester
- Carbamodithioic acid, diethyl-, 2-chloro-2-propenyl ester
- Carbamodithioic acid, N,N-diethyl-, 2-chloro-2-propen-1-yl ester
- CDEC
- Chlorallyl diethyldithiocarbamate
- CP 4,742
- Diethyldithiocarbamic acid 2-chloroallyl ester
- Thioallate
- Vegadex
- Vegadex super
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | XJCLWVXTCRQIDI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-Chloroallyl N,N-diethyldithiocarbamate |
| Molecular formula chemrof:molecular_formula | C8H14ClNS2 |
| Molecular mass chemrof:molecular_mass | 223.794 |
| Monoisotopic mass chemrof:monoisotopic_mass | 223.025619, 223.02562 |
| SMILES string chemrof:smiles_string | C=C(Cl)CSC(=S)N(CC)CC |
Known URLs
15Where 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=95-06-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82218 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.172 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7021289 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16085 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL538146 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7U7BI7173J | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.707D | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19096 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19096 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44448 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:2589 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7216 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3082 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27155815 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5b443464-cb3f-4a14-805d-80528332085b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 328b535a-9ff3-4fc1-841b-730b3ebb2494 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| f4400b4e-ead3-4991-bb82-2fdbd72832ab | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 9665d2af-d5f0-41b0-99af-62b522eb0ccf | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9ff2ec5e-0a62-4904-af7a-022077f1871b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| a82160de-b93f-44f9-8381-b3d8ee77d29b | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 97481b13-e0bb-4696-b32b-77e172316f19 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 2bc926be-e2bb-4440-a56d-cbe82b0723cd | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 646e25193ac0eff9ec2edbc79b9bbc1506c68124 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| a010ddbd-f6b4-4a64-b7b9-2895301e52cd | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 635ab1e0-e6ae-463e-9547-be8a6567fc18 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c32e19bd-c920-4722-acac-0a272a06a299 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 3cc1d3a2-d798-4915-9555-6ccc53ae38b2 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 94e2e418-b57f-4ea7-99af-9550f0d6bd19 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
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