5-methoxy-1h-1,3-benzodiazole-2-thiol

1,3-Dihydro-5-methoxy-2H-benzimidazole-2-thione
1,3-Dihydro-5-methoxybenzimidazole-2-thione
2-Mercapto-5-methoxy-1H-benzimidazole
2-Mercapto-5-methoxybenzimidazole
2-Thio-5-methoxy-1H-benzimidazole
2H-Benzimidazole-2-thione, 1,3-dihydro-5-methoxy-
5-Methoxy-1H-benzimidazole-2-thiol
5-Methoxy-1H-benzo[d]imidazole-2(3H)-thione
5-Methoxy-1H-benzoimidazole-2-thiol
5-Methoxy-2-benzimidazolethiol
5-Methoxy-2-mercapto-1H-benzimidazole
5-Methoxy-2-mercaptobenzimidazole

Property	Value
InChI2D key string chemrof:inchi2d_key_string	KOFBRZWVWJCLGM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
IUPAC name chemrof:IUPAC_name	5-methoxy-1h-1,3-benzodiazole-2-thiol
Molecular formula chemrof:molecular_formula	C8H8N2OS
Molecular mass chemrof:molecular_mass	180.232
Monoisotopic mass chemrof:monoisotopic_mass	180.035734
SMILES string chemrof:smiles_string	COc1ccc2[nH]c(S)nc2c1

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=37052-78-1	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.048.463	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID20190558	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1509639	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/143562LXX0	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.727A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/665603	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27251572	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
8d344105-fba5-4871-abe3-52084f9d8ccb	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
ee606858-5ea7-4ba0-a0cf-6196e8c4c12f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
6ca34984-b212-4380-9d60-5165e32d6882	Environmental → Air → Indoor	EF 3.1	kg	2
3c693ff1-f38c-4c29-8d83-de4992a600bf	Environmental → Air → Long-term	EF 3.1	kg	0
a47182ad-757a-4024-b916-0c7dd2a4db84	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
a4196002-40d3-4038-8c5b-21a912bd711b	Environmental → Air → Unknown	EF 3.1	kg	2
c424d5a4-a4fc-46be-849d-24c252e4c62e	Environmental → Ground → Agricultural	EF 3.1	kg	2
b76ead12-6427-405d-a34e-a4d18f9ba82f	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
2ca0b4ed-5073-494a-8a0a-f6d609603070	Environmental → Ground → Unknown	EF 3.1	kg	2
6ffdb715-11bf-4d6e-a835-8ee4400aa5f6	Environmental → Water → Long-term	EF 3.1	kg	0
ad58f756-e15f-4dd7-8821-faf2f8b7c969	Environmental → Water → Ocean	EF 3.1	kg	2
e1d76e6d-dd58-4a4d-90e8-52dd766ea80a	Environmental → Water → Surface water	EF 3.1	kg	2
97faccbb-e619-41a5-8d13-2cfb22273108	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

5-methoxy-1h-1,3-benzodiazole-2-thiol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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