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(Q82040105)
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English
3-(2-Thioxo-benzothiazol-3-yl)-propionitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
220.012890256
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₈N₂S₂
0 references
canonical SMILES
C1=CC=C2C(=C1)N(C(=S)S2)CCC#N
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Identifiers
InChI
InChI=1S/C10H8N2S2/c11-6-3-7-12-8-4-1-2-5-9(8)14-10(12)13/h1-2,4-5H,3,7H2
0 references
InChIKey
LUNDDJLLLGBJBJ-UHFFFAOYSA-N
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CAS Registry Number
27410-89-5
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PubChem CID
275674
1 reference
matched by identifier from
InChIKey
InChIKey
LUNDDJLLLGBJBJ-UHFFFAOYSA-N
UniChem compound ID
4308646
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20298346
1 reference
matched by identifier from
InChIKey
InChIKey
LUNDDJLLLGBJBJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10249483
0 references
NSC number
122644
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