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3-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-1-nitroguanidine

fo-7aebf974b0f02feb

Identity

Type
Neutral molecule
CAS
210880-92-5
EC
606-701-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-1-nitroguanidine

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. 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

27

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PGOOBECODWQEAB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
IUPAC name chemrof:IUPAC_name 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-1-nitroguanidine
Molecular formula chemrof:molecular_formula C6H8ClN5O2S
Molecular mass chemrof:molecular_mass 249.683
Monoisotopic mass chemrof:monoisotopic_mass 249.00872, 249.008723
SMILES string chemrof:smiles_string CN=C(NCc1cnc(Cl)s1)N[N+](=O)[O-]

Known URLs

18

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
beilstein beilstein:8620724 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=210880-92-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39177 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.171 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.113.930 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2034465 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL259727 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2V9906ABKQ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250370 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.082.227K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18508 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18508 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56186 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:CT4 enrich_references.chebi_xrefs
ppdb ppdb:171 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86287519 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q419355 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Clothianidin enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
407d73b0-a4b6-4f0f-a338-f361661be740 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5afbf0fa-8fec-4536-bbc7-0423194cad7b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e053f747-58ae-4bbf-9cf1-38be3a6e23cd Environmental → Air → Indoor EF 3.1 kg 2
3534f79f-a893-42e3-8f13-13a3c5bd49ab Environmental → Air → Long-term EF 3.1 kg 0
6021992d-002b-4480-ba70-e70ba8c023bc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
49d5d73c-c182-4356-9878-cf07733888e7 Environmental → Air → Unknown EF 3.1 kg 2
362378a3-5d5e-4f02-906e-9085c6ad43de Environmental → Ground → Agricultural EF 3.1 kg 2
713869e0-7e01-4830-85b5-d67f559199d4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
07db671b96dfc91d02705203cb8db7dce8003909 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
ad4735d7-bbf4-49ec-8739-5a99b8794e2e Environmental → Ground → Unknown EF 3.1 kg 2
15b07999-faf4-455c-8c2a-04114604f9b5 Environmental → Water → Long-term EF 3.1 kg 0
230a478e-afd4-423f-9f48-a342353b3e2b Environmental → Water → Ocean EF 3.1 kg 2
4f555d3c-ff9b-4c7b-9a06-4cefeff9a77e Environmental → Water → Surface water EF 3.1 kg 2
aeaa8a16-e6a1-4361-bfdd-989997764a42 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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      "@value": "Takeloc CLMN 10",
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