Consensus flow list

Identity

Type
Neutral molecule
CAS
27503-81-7
EC
248-502-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-phenyl-1h-benzimidazole-5-sulfonic Acid

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UVCJGUGAGLDPAA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)
IUPAC name chemrof:IUPAC_name 2-phenyl-1h-benzimidazole-5-sulfonic Acid
Molecular formula chemrof:molecular_formula C13H10N2O3S
Molecular mass chemrof:molecular_mass 274.301
Monoisotopic mass chemrof:monoisotopic_mass 274.04121, 274.041213
SMILES string chemrof:smiles_string O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)nc2c1

Known URLs

17

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=27503-81-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135132 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.078 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3038852 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11115 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3179 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3179 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1987518 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9YQ9DI1W42 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.527D enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D10005 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=152453 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C83690 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1987518 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/33919 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q7181424 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phenylbenzimidazole_sulfonic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8fd688f7-6b81-4935-bd7e-2b8c000d702e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1bd3a241-50dd-4551-a345-9cf81ac6f370 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2860cf07-b765-4b83-88bc-c6098a6fd626 Environmental → Air → Indoor EF 3.1 kg 4
afb30f8d-9752-474d-9a1d-49eb5df5d994 Environmental → Air → Long-term EF 3.1 kg 0
9411310f-79bf-4349-bee6-6a79de6d57fb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1e7a95e7-6a7e-4098-97a9-f7037ac77661 Environmental → Air → Unknown EF 3.1 kg 4
2db0c4ad-2b39-4ffd-9d9a-03d5be77be75 Environmental → Ground → Agricultural EF 3.1 kg 4
a655b24a-6227-4f15-b5e4-4fa66a5db9b7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
bad6855f-9a16-46da-bc0e-4a204c9bf30e Environmental → Ground → Unknown EF 3.1 kg 4
3b417568-f4f4-491a-b670-375be28fe228 Environmental → Water → Long-term EF 3.1 kg 0
372bba42-87dd-4480-80a8-2ae4958dd6ce Environmental → Water → Ocean EF 3.1 kg 4
b0d2710e-8d7f-4b6e-aa2b-5300e028a4ff Environmental → Water → Surface water EF 3.1 kg 4
c68c397e-219d-4ecc-93f1-77e6c535ef5f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-22b465094e1f8dab",
  "prefLabel": [
    {
      "@value": "2-phenyl-1h-benzimidazole-5-sulfonic Acid",
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  "altLabel": [
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    },
    {
      "@value": "1H-Benzimidazole-6-sulfonic acid, 2-phenyl-",
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    },
    {
      "@value": "2-Phenyl-1H-1,3-benzodiazole-6-sulfonic acid",
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    {
      "@value": "2-Phenyl-5-sulfobenzimidazole",
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    {
      "@value": "5-Benzimidazolesulfonic acid, 2-phenyl-",
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    },
    {
      "@value": "Neo Heliopan Hydro",
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    },
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      "@value": "Novantisol",
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      "@value": "Parsol HS",
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    },
    {
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