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(Q7784649)
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English
thiobuscaline
chemical compound
3,5-dimethoxy-4-butylthiophenethylamine
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical structure
Thiobuscaline.svg
705 × 340; 11 KB
0 references
mass
269.144949976
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₂₃NO₂S
1 reference
imported from Wikimedia project
English Wikipedia
canonical SMILES
COc1cc(cc(OC)c1SCCCC)CCN
1 reference
imported from Wikimedia project
English Wikipedia
Identifiers
InChI
InChI=1S/C14H23NO2S/c1-4-5-8-18-14-12(16-2)9-11(6-7-15)10-13(14)17-3/h9-10H,4-8,15H2,1-3H3
0 references
InChIKey
CPNWMHCBHUXITO-UHFFFAOYSA-N
0 references
CAS Registry Number
90109-57-2
1 reference
InChIKey
CPNWMHCBHUXITO-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=90109-57-2
ChemSpider ID
21106390
1 reference
imported from Wikimedia project
English Wikipedia
PubChem CID
44349865
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CPNWMHCBHUXITO-UHFFFAOYSA-N
ChEMBL ID
CHEMBL123840
1 reference
imported from Wikimedia project
English Wikipedia
SureChEMBL ID
SCHEMBL20970965
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CPNWMHCBHUXITO-UHFFFAOYSA-N
UniChem compound ID
624891
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80658366
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
CPNWMHCBHUXITO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20609115
0 references
UNII
45ZTS7GX2F
1 reference
matched by identifier from
InChIKey
InChIKey
CPNWMHCBHUXITO-UHFFFAOYSA-N
Freebase ID
/m/02qb8pp
0 references
Sitelinks
Wikipedia
(6 entries)
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azbwiki
تیوبوسکالین
enwiki
Thiobuscaline
fawiki
تیوبوسکالین
jawiki
チオブスカリン
shwiki
Tiobuskalin
srwiki
Tiobuskalin
Wikibooks
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