3,5-dimethyl-4-(methylsulfanyl)phenol

3,5-Dimethyl-4-(methylthio)phenol
3,5-Dimethyl-4-methylsulfanylphenol
3,5-Xylenol, 4-(methylthio)-
4-(Methylthio)-3,5-dimethylphenol
4-(Methylthio)-3,5-xylenol
4-Methylsulfanyl-3,5-dimethylphenol
4-Methylthio-3,5-xylenol
Phenol, 3,5-dimethyl-4-(methylthio)-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	JGFZITGNFAVSKU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H12OS/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5,10H,1-3H3
IUPAC name chemrof:IUPAC_name	3,5-dimethyl-4-(methylsulfanyl)phenol
Molecular formula chemrof:molecular_formula	C9H12OS
Molecular mass chemrof:molecular_mass	168.261
Monoisotopic mass chemrof:monoisotopic_mass	168.060886, 168.06089
SMILES string chemrof:smiles_string	CSc1c(C)cc(O)cc1C

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=7379-51-3	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38509	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.028.134	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9041497	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D73AE3R9ZD	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J212.377K	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55891	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/81853	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27117884	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
6829b981-888d-49b4-b6ef-d55622045649	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
ac815356-cf1e-4e4c-999e-3629c3af5286	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
5377674a-afe3-45be-94a9-7926cd7aac7a	Environmental → Air → Indoor	EF 3.1	kg	2
92caacae-5bfc-47c2-8160-9fab22d74a5f	Environmental → Air → Long-term	EF 3.1	kg	0
65c44ccc-d791-42bd-8834-66216e597baf	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
3f59e16a-ebf3-456d-b8e6-c56877910414	Environmental → Air → Unknown	EF 3.1	kg	2
d7f6d882-f43f-4724-875a-ae70220ff8dd	Environmental → Ground → Agricultural	EF 3.1	kg	2
c25c0c7d-e269-47a8-8bb0-1ec576e3da06	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
2ac45f9e-f098-4ac6-8520-a81ebe7db640	Environmental → Ground → Unknown	EF 3.1	kg	2
9f4b517f-e8a0-4498-922c-f90907c9fd0f	Environmental → Water → Long-term	EF 3.1	kg	0
0e967378-f032-4073-96cd-7f2bcb203968	Environmental → Water → Ocean	EF 3.1	kg	2
479a6d0f-bc59-441e-b69e-157d1381c6d5	Environmental → Water → Surface water	EF 3.1	kg	2
d4781823-40de-495e-9959-55cbc7194f8c	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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  "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

3,5-dimethyl-4-(methylsulfanyl)phenol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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