Consensus flow list

Benthiavalicarb

fo-3e52ac7a3621d9cf

Identity

Type
NeutralMolecule
CAS
413615-35-7
EC
—
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Benthiavalicarb

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

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
fungicide CHEBI:24127 A substance used to destroy fungal 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

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VVSLYIKSEBPRSN-PELKAZGASA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H18FN3O3S/c1-7(2)12(19-15(21)22)13(20)17-8(3)14-18-10-5-4-9(16)6-11(10)23-14/h4-8,12,19H,1-3H3,(H,17,20)(H,21,22)/t8-,12+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC(C)[C@H](NC(=O)O)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1
IUPAC name chemrof:IUPAC_name N-[(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]carbamic acid
Molecular formula chemrof:molecular_formula C15H18FN3O3S
Molecular mass chemrof:molecular_mass 339.392
Monoisotopic mass chemrof:monoisotopic_mass 339.10529, 339.105291
SMILES string chemrof:smiles_string CC(NC(=O)C(NC(=O)O)C(C)C)c1nc2ccc(F)cc2s1

Known URLs

4

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=413615-35-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83601 enrich_references.chebi_id_link
pesticides pesticides:benthiavalicarb enrich_references.chebi_xrefs
reaxys reaxys:11327530 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
5f8bef8dc816656cc205788c20bf52164b305d30 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
7d5499bf6a5fddbb263fe5870e5a3819904c5dc3 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
718e0f457622be71350b1407097cdedddf2e04b1 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
949c58055e45f680f6ffcd89dff23aa81709b4d8 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
58cf5aae69fac7d8820056b535c423bb730e7154 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
ae370dec6ccfa4ed4fd48c4097d8f8e6b7a13abe Environmental → Water → Surface water ecoinvent algorithm addition kg 0
08a01c51bfecf78ff6b70bae84c528bbe745b3cf Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON 
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}

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