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Chlorthiamid

fo-b4bf36c3bdcac815

Identity

Type
Neutral molecule
CAS
1918-13-4
EC
217-637-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Chlorthiamid

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
herbicide CHEBI:24527 A substance used to destroy plant pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KGKGSIUWJCAFPX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
IUPAC name chemrof:IUPAC_name 2,6-Dichlorothiobenzamide
Molecular formula chemrof:molecular_formula C7H5Cl2NS
Molecular mass chemrof:molecular_mass 206.097
Monoisotopic mass chemrof:monoisotopic_mass 204.951976, 204.95198
SMILES string chemrof:smiles_string NC(=S)c1c(Cl)cccc1Cl

Known URLs

23

Where 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=1918-13-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:949 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.035 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0852 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4041783 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188781 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5JVN5HGD7S enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250145 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.687K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11041 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11041 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=70056 enrich_references.pubchem_identifier_url
pesticides pesticides:chlorthiamid enrich_references.chebi_xrefs
ppdb ppdb:158 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2734819 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10854608 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1916084 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3067458 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5549686 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5588846 enrich_references.chebi_xrefs
reaxys reaxys:1910353 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q411727 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Chlorthiamide enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3ac71628-a909-4154-9a11-8ca761f1c3c2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0fc76b0b-1a56-492a-adcb-fc3c0773a194 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
193b95ec-dc93-4e30-be80-7e7e57292fc8 Environmental → Air → Indoor EF 3.1 kg 2
3f903363-e8db-4e0c-86ad-1ab8218e7779 Environmental → Air → Long-term EF 3.1 kg 0
ba4de38b-fd78-4c1f-ad74-929d3bb3c45e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9cf4d6dc-e429-4bcf-9919-04b00aa7a007 Environmental → Air → Unknown EF 3.1 kg 2
29795ee1-6c6a-4935-a10e-8f7401ad911b Environmental → Ground → Agricultural EF 3.1 kg 2
fd975512-d936-4af2-a072-7b62a12a80dc Environmental → Ground → Non-agricultural EF 3.1 kg 2
164813be5af72ec85edd9cd8dc89982ff0c0c4b3 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
f8930a72-83bb-4571-838b-2c441f1c99e6 Environmental → Ground → Unknown EF 3.1 kg 2
c1904bb1-ac50-4129-b08a-2ed76464b21b Environmental → Water → Long-term EF 3.1 kg 0
c246fe82-ab16-40dd-acca-8cee077996ef Environmental → Water → Ocean EF 3.1 kg 2
f63ecd5c-30ac-4c52-8b43-1faa5948b0ec Environmental → Water → Surface water EF 3.1 kg 2
2c347273-d17b-4b7e-a63e-aba62685fb93 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b4bf36c3bdcac815",
  "prefLabel": [
    {
      "@value": "Chlorthiamid",
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  ],
  "altLabel": [
    {
      "@value": "2,6-Dichlor-thiobenzamid",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-dichlorobenzene-1-carbothioamide",
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    },
    {
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      }
    },
    {
      "@value": "Benzamide, 2,6-dichlorothio-",
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}

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