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(Q83068935)
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English
Pseudourea, 2-(p-nitrobenzyl)-2-thio-, hydrochloride
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
247.01822524
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₀ClN₃O₂S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cl.N=C(N)SCc1ccc([N+](=O)[O-])cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H9N3O2S.ClH/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13;/h1-4H,5H2,(H3,9,10);1H
0 references
InChIKey
XLXMUFLBCRDKMJ-UHFFFAOYSA-N
0 references
CAS Registry Number
4357-96-4
1 reference
InChIKey
XLXMUFLBCRDKMJ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=4357-96-4
DSSTox substance ID
DTXSID30195877
0 references
DSSTOX compound identifier
DTXCID70118368
0 references
NSC number
3850
0 references
114527
0 references
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