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(Q82209598)
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English
4-(2,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
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
205.067368352
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₁N₃S
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canonical SMILES
CC1=CC(=C(C=C1)N2C=NNC2=S)C
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Identifiers
InChI
InChI=1S/C10H11N3S/c1-7-3-4-9(8(2)5-7)13-6-11-12-10(13)14/h3-6H,1-2H3,(H,12,14)
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InChIKey
OFSNDWPHJFKJEV-UHFFFAOYSA-N
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CAS Registry Number
66297-59-4
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PubChem CID
4644033
1 reference
matched by identifier from
InChIKey
InChIKey
OFSNDWPHJFKJEV-UHFFFAOYSA-N
UniChem compound ID
24681681
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40405176
1 reference
matched by identifier from
InChIKey
InChIKey
OFSNDWPHJFKJEV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60356030
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