Consensus flow list

4-{[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino}-2,6-di-tert-butylphenol

fo-f07be9003193f22e

Identity

Type
Neutral molecule
CAS
991-84-4
EC
213-590-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-{[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino}-2,6-di-tert-butylphenol

Alternative labels

27

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QRLSTWVLSWCGBT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C33H56N4OS2/c1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8/h23-24,38H,9-22H2,1-8H3,(H,34,35,36,37)
IUPAC name chemrof:IUPAC_name 4-{[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino}-2,6-di-tert-butylphenol
Molecular formula chemrof:molecular_formula C33H56N4OS2
Molecular mass chemrof:molecular_mass 588.972
Monoisotopic mass chemrof:monoisotopic_mass 588.389554
SMILES string chemrof:smiles_string CCCCCCCCSc1nc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(SCCCCCCCC)n1

Known URLs

9

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=991-84-4 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:141532 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.355 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1052662 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=328455 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O1Q826IX7H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J46.602F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/70431 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27285208 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
37776be5-dcb0-444b-aac6-e9e4bc69af65 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5550b217-0399-448b-90fb-57145ce54ee5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
77592058-d7ee-4e64-8642-733c1bc1a487 Environmental → Air → Indoor EF 3.1 kg 4
c349a34a-bec2-4e84-9dd9-80e29be9a104 Environmental → Air → Long-term EF 3.1 kg 0
65e95665-cf3a-4938-b87b-0d339da48257 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f27ab2e3-3b3d-4f99-8788-677d002fb898 Environmental → Air → Unknown EF 3.1 kg 4
780be32a-e630-4f5f-b905-7d9b0c505be1 Environmental → Ground → Agricultural EF 3.1 kg 4
6658f959-240f-4c68-b8ad-5c6ccf520e27 Environmental → Ground → Non-agricultural EF 3.1 kg 4
605b6928-ee24-4b4f-8ed5-7408932b2425 Environmental → Ground → Unknown EF 3.1 kg 4
3435245b-1074-4f5d-a388-58dfbeca74a2 Environmental → Water → Long-term EF 3.1 kg 0
cc5a9385-2a19-404a-8163-78d87ffa763d Environmental → Water → Ocean EF 3.1 kg 4
d7011ad0-9d87-476a-826b-720c26444e08 Environmental → Water → Surface water EF 3.1 kg 4
1655d17b-a779-4937-a9b6-a53e3584768e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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      "@value": "4-[[4,6-Bis(n-octylthio)-1,3,5-triazin-2-yl]amino]-2,6-di-tert-butylphenol",
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      "@value": "4-[[4,6-Bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-di-tert-butylphenol",
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      "@value": "4-[[4,6-Bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)phenol",
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      "@value": "6-(3,5-di-tert-Butyl-4-hydroxyanilino)-2,4-bis(n-octylthio)-s-triazine",
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      "@value": "6-(4-Hydroxy-3,5-di-tert-butylanilino)-2,4-bis(octylthio)-s-triazine",
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      "@value": "BOTAP",
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      "@value": "Eunox AO 565",
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