Chem
J-GLOBAL ID：200907008018281458
Nikkaji number：J2.503.595J
3-Ethyl-3-isothiocyanatooctane
3-エチル-3-イソチオシアナトオクタン
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： C11H21NS
Molecular formula furigana： C11-H21-N-S
Molecular weight： 199.360
InChI：
InChI=1S/C11H21NS/c1-4-7-8-9-11(5-2,6-3)12-10-13/h4-9H2,1-3H3
InChI key：
UHETWDHPQXKGGO-UHFFFAOYSA-N
SMILES：
CCCCCC(CC)(CC)N=C=S
Systematic name (2)：
- 3-エチル-3-イソチオシアナトオクタン
- 3-ethyl-3-isothiocyanatooctane
- 3-Ethyl-3-isothiocyanatooctane
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