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(Q82246384)
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English
5-(Hydroxymethyl)-1-[(4-nitrophenyl)methyl]-1,3-dihydro-2H-imidazole-2-thione
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
265.052112212
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₁N₃O₃S
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canonical SMILES
C1=CC(=CC=C1CN2C(=CNC2=S)CO)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C11H11N3O3S/c15-7-10-5-12-11(18)13(10)6-8-1-3-9(4-2-8)14(16)17/h1-5,15H,6-7H2,(H,12,18)
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InChIKey
KHWHBHFUZBUCJW-UHFFFAOYSA-N
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CAS Registry Number
114772-19-9
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PubChem CID
9881754
1 reference
matched by identifier from
InChIKey
InChIKey
KHWHBHFUZBUCJW-UHFFFAOYSA-N
UniChem compound ID
19292473
1 reference
stated in
UniChem
NMRShiftDB structure ID
20191913
1 reference
matched by identifier from
InChIKey
InChIKey
KHWHBHFUZBUCJW-UHFFFAOYSA-N
DSSTox substance ID
DTXSID30432310
1 reference
matched by identifier from
InChIKey
InChIKey
KHWHBHFUZBUCJW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10383139
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