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(Q82941934)
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English
O-(2-{[(Bicyclo[2.2.1]heptan-2-yl)methyl]amino}-2-iminoethyl) hydrogen sulfurothioate
group of stereoisomers with the chemical formula C₁₀H₁₈N₂O₃S₂
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
278.07588443599997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₈N₂O₃S₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N=C(COS(=O)(O)=S)NCC1CC2CCC1C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N=C(COS(=O)(O)=S)NC[C@H]1CC2CCC1C2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C10H18N2O3S2/c11-10(6-15-17(13,14)16)12-5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H2,11,12)(H,13,14,16)/t7?,8?,9-/m1/s1
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InChIKey
PQGFVOURRHRXKN-AMDVSUOASA-N
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CAS Registry Number
40283-67-8
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PubChem CID
218159
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58700947
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80960693
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DSSTOX compound identifier
DTXCID201388538
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