Toluene-3-thiol

(3-Methylphenyl)thiol
3-Mercaptotoluene
3-Methylbenzene-1-thiol
3-Methylbenzenethiol
3-Methylphenyl mercaptan
3-Methylthiophenol
Benzenethiol, 3-methyl-
m-Mercaptotoluene
m-Methylbenzenethiol
m-Methylthiophenol
m-Thiocresol
m-Toluenethiol
m-Tolyl mercaptan
m-Tolylthiol

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WRXOZRLZDJAYDR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
IUPAC name chemrof:IUPAC_name	Toluene-3-thiol
Molecular formula chemrof:molecular_formula	C7H8S
Molecular mass chemrof:molecular_mass	124.208
Monoisotopic mass chemrof:monoisotopic_mass	124.034671
SMILES string chemrof:smiles_string	Cc1cccc(S)c1

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=108-40-7	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.254	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID1059361	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=81219	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0TK859NX9S	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.076H	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7930	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018265	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27237236	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
04d5adf6-c1b3-4c79-852e-4406637c692f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
fa41876c-993f-4a45-87d7-7c583d7650ba	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
cb2bc674-99f8-455c-ae21-e5a2bf346e38	Environmental → Air → Indoor	EF 3.1	kg	2
675d9d9e-2792-4a36-957d-b0b8f540277a	Environmental → Air → Long-term	EF 3.1	kg	0
9fc4ef3f-7175-4251-8e14-3b4d98365aac	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
0e2dd84f-c0bf-4332-aa0b-d51c9c1917b3	Environmental → Air → Unknown	EF 3.1	kg	2
e140cab2-4d09-429b-8653-3ccdc151852a	Environmental → Ground → Agricultural	EF 3.1	kg	2
5ac7e020-a284-4616-ae5e-8bd9322eb2c2	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
74695bbc-6081-40c0-950a-97e7f63f93ed	Environmental → Ground → Unknown	EF 3.1	kg	2
289f0e13-0648-462c-a6e9-4544556ddadd	Environmental → Water → Long-term	EF 3.1	kg	0
9daab281-9c85-4023-b31e-8d8a60255f97	Environmental → Water → Ocean	EF 3.1	kg	2
8e4d0386-1f0a-4269-bb6c-9280aca63628	Environmental → Water → Surface water	EF 3.1	kg	2
1a7d8d14-8f27-479a-a076-a7bf29effc7f	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "203-578-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=203-578-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "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

Toluene-3-thiol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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