Chem
J-GLOBAL ID：201907010846268947
Nikkaji number：J3.740.027K
3-アジド-5-(アジドメチル)フェニルイソチオシアナート
3-アジド-5-(アジドメチル)フェニルイソチオシアナート
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C8H5N7S
Molecular formula furigana： C8-H5-N7-S
Molecular weight： 231.240
InChI：
InChI=1S/C8H5N7S/c9-14-12-4-6-1-7(11-5-16)3-8(2-6)13-15-10/h1-3H,4H2
InChI key：
UZAXOMWTDZOSIX-UHFFFAOYSA-N
SMILES：
N(=C=S)c1cc(cc(c1)CN=[N+]=[N-])N=[N+]=[N-]
Systematic name (3)：
- 3-アジド-5-(アジドメチル)フェニルイソチオシアナート
- 1-アジド-3-(アジドメチル)-5-イソチオシアナトベンゼン
- 1-azido-3-(azidomethyl)-5-isothiocyanatobenzene
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