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(Q82716871)
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English
[(3-Methyl-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl thiocyanate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
249.039439352
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₁N₃S₂
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canonical SMILES
CN1CC2=CC=CC=C2N=C1SCSC#N
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Identifiers
InChI
InChI=1S/C11H11N3S2/c1-14-6-9-4-2-3-5-10(9)13-11(14)16-8-15-7-12/h2-5H,6,8H2,1H3
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InChIKey
FNLPTLRMOKYZAT-UHFFFAOYSA-N
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CAS Registry Number
105571-31-1
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PubChem CID
71333603
1 reference
matched by identifier from
InChIKey
InChIKey
FNLPTLRMOKYZAT-UHFFFAOYSA-N
UniChem compound ID
44917568
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90761830
1 reference
matched by identifier from
InChIKey
InChIKey
FNLPTLRMOKYZAT-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80712573
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