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(Q82974184)
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English
O-(2-{[4-(Bicyclo[2.2.1]heptan-2-yl)butyl]amino}ethyl) hydrogen sulfurothioate
group of stereoisomers with the chemical formula C₁₃H₂₅NO₃S₂
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
307.12758566
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₅NO₃S₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=S(O)(=S)OCCNCCCCC1CC2CCC1C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=S(O)(=S)OCCNCCCCC1CC2CC[C@H]1C2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H25NO3S2/c15-19(16,18)17-8-7-14-6-2-1-3-12-9-11-4-5-13(12)10-11/h11-14H,1-10H2,(H,15,16,18)/t11?,12?,13-/m0/s1
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InChIKey
QQLPNWHNKAAGBM-BPCQOVAHSA-N
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CAS Registry Number
67226-94-2
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PubChem CID
3050991
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45593925
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60986336
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DSSTOX compound identifier
DTXCID801413521
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