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(Q82017726)
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English
1-(4-methylphenyl)-4-(phenylsulfanylmethyl)piperazine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
298.15036970399996
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₂N₂S
0 references
canonical SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CSC3=CC=CC=C3
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Identifiers
InChI
InChI=1S/C18H22N2S/c1-16-7-9-17(10-8-16)20-13-11-19(12-14-20)15-21-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3
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InChIKey
LOIGOTXJCSVVJU-UHFFFAOYSA-N
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CAS Registry Number
6326-28-9
1 reference
InChIKey
LOIGOTXJCSVVJU-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=6326-28-9
PubChem CID
232712
1 reference
matched by identifier from
InChIKey
InChIKey
LOIGOTXJCSVVJU-UHFFFAOYSA-N
UniChem compound ID
44924562
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90283229
1 reference
matched by identifier from
InChIKey
InChIKey
LOIGOTXJCSVVJU-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20234380
0 references
NSC number
30584
0 references
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