Chem
J-GLOBAL ID：200907097817877129
Nikkaji number：J2.486.874E
3-Ethyl-3-isothiocyanatononane
3-エチル-3-イソチオシアナトノナン
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： C12H23NS
Molecular formula furigana： C12-H23-N-S
Molecular weight： 213.380
InChI：
InChI=1S/C12H23NS/c1-4-7-8-9-10-12(5-2,6-3)13-11-14/h4-10H2,1-3H3
InChI key：
VCYSFMZGWQFPNX-UHFFFAOYSA-N
SMILES：
CCCCCCC(CC)(CC)N=C=S
Systematic name (3)：
- 1,1-ジエチルヘプチルイソチオシアナート
- 3-エチル-3-イソチオシアナトノナン
- 3-ethyl-3-isothiocyanatononane
- 1,1-Diethylheptyl isothiocyanate
- 3-Ethyl-3-isothiocyanatononane
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