Consensus flow list

Identity

Type
Neutral molecule
CAS
21564-17-0
EC
244-445-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Thiocyanic Acid (2-benzothiazolylthio)methyl Ester

Alternative labels

36

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string TUBQDCKAWGHZPF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
IUPAC name chemrof:IUPAC_name Thiocyanic Acid (2-benzothiazolylthio)methyl Ester
Molecular formula chemrof:molecular_formula C9H6N2S3
Molecular mass chemrof:molecular_mass 238.362
Monoisotopic mass chemrof:monoisotopic_mass 237.969311
SMILES string chemrof:smiles_string N#CSCSc1nc2ccccc2s1

Known URLs

11

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=21564-17-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.040.390 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1161 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6032647 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1903976 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5GE166YVQV enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245617 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.910J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/30692 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q158532 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/TCMTB enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4cb44f-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c44-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fd16ef22-12b4-4760-bdf8-6f79bcb4c924 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c43-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9c45-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c42-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c40-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c49-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
61797f21c9bd7d62fc92a3d23cd65f4ebaee02e1 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9c41-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c47-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9c4a-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c46-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c48-0050c2490048 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
{
  "flow_object_id": "fo-b4053f2cdb0e7bd5",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
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    {
      "@value": "2-(Thiocyanatomethylthio)-1,3-benzothiazole",
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      "@value": "Ichiban",
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      "@value": "Nu-flow T",
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    },
    {
      "@value": "Sancelant TMB",
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    {
      "@value": "Thiocyanic acid, (2-benzothiazolylthio)methyl ester",
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H6N2S3"
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      "attested_by": {
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