Chem
J-GLOBAL ID：200907010928193719
Nikkaji number：J2.503.594A
3-Ethyl-3-isothiocyanatoheptane
3-エチル-3-イソチオシアナトヘプタン
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： C10H19NS
Molecular formula furigana： C10-H19-N-S
Molecular weight： 185.330
InChI：
InChI=1S/C10H19NS/c1-4-7-8-10(5-2,6-3)11-9-12/h4-8H2,1-3H3
InChI key：
KNBYLCUGXWNUDU-UHFFFAOYSA-N
SMILES：
CCCCC(CC)(CC)N=C=S
Systematic name (2)：
- 3-エチル-3-イソチオシアナトヘプタン
- 3-ethyl-3-isothiocyanatoheptane
- 3-Ethyl-3-isothiocyanatoheptane
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