Consensus flow list

Identity

Type
NeutralMolecule
CAS
15263-53-3
EC
620-418-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Cartap

What it is used for

2

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
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

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IRUJZVNXZWPBMU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)
IUPAC name chemrof:IUPAC_name 1,3-bis(carbamoylthio)-2-(N,N-dimethylamino)propane
Molecular formula chemrof:molecular_formula C7H15N3O2S2
Molecular mass chemrof:molecular_mass 237.35
Monoisotopic mass chemrof:monoisotopic_mass 237.060569, 237.06057
SMILES string chemrof:smiles_string CN(C)C(CSC(N)=O)CSC(N)=O

Known URLs

15

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:1954913 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=15263-53-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3436 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.149.211 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4044165 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1436987 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z45YUY784H enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0249690 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.237A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11080 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11080 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53042 enrich_references.pubchem_identifier_url
ppdb ppdb:124 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/27159 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q5047057 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
c0e1ff84-9553-407b-90e7-53d1b02316c9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
22bdf946-3f9f-452b-80aa-3b79224e7be1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
48b9b7e7-f3ad-4672-9416-322de8cd9c06 Environmental → Air → Indoor EF 3.1 kg 4
245c2dac-2e54-4ada-b5cb-41ae4d15d30c Environmental → Air → Long-term EF 3.1 kg 0
abd64ce0-23d7-428e-8906-52ce8000996a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0b76a25e-f700-45fc-982b-e00d56303d02 Environmental → Air → Unknown EF 3.1 kg 4
32cc14c3-d141-43a6-adcc-ae447fea7314 Environmental → Ground → Agricultural EF 3.1 kg 4
6cfa2899-4dd0-4a1c-8cdd-01765e8f73ca Environmental → Ground → Non-agricultural EF 3.1 kg 4
5d6d1dc951612758ee3f2551f6c1f58e239b779a Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
7d7a7514-a8e3-4e97-af2b-e4660bb62312 Environmental → Ground → Unknown EF 3.1 kg 4
8013ad41-0fbc-4bab-819c-f7410f2cbc4f Environmental → Water → Long-term EF 3.1 kg 0
5103e643-8786-40e5-8368-ee472bb14135 Environmental → Water → Ocean EF 3.1 kg 4
15de9683-3a6f-4e10-b488-50f346e1026a Environmental → Water → Surface water EF 3.1 kg 4
67cf01dd-80aa-41b1-bf8f-fc326d42d983 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ef7cf9705e6e4dc8",
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    {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Bis(carbamoylthio)-2-(dimethylamino)propane",
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    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,3-di(carbamoylthio)-2-dimethylaminopropane",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,3-Propanedithiol, 2-(dimethylamino)-, dicarbamate (ester)",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "2-dimethylamino-1,3-bis(carbamoylthio)propane",
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      }
    },
    {
      "@value": "Carbamic acid, thio-, S,S′-[2-(dimethylamino)trimethylene] ester",
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        ],
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      }
    },
    {
      "@value": "carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester",
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    },
    {
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    },
    {
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    },
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    {
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    },
    {
      "@value": "Thiobel",
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