Chem
J-GLOBAL ID：200907070902134059   Nikkaji number：J2.367.383E

3-Ethyl-3-thiocyanatoheptane

3-エチル-3-チオシアナトヘプタン
Substance type：
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
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)12-9-11/h4-8H2,1-3H3
InChI key： VWXNIGVQJGXWSW-UHFFFAOYSA-N
SMILES： CCCCC(CC)(CC)SC#N
Systematic name  (4)：
  • 1,1-ジエチルペンチルチオシアナート
  • 3-エチル-3-チオシアナトヘプタン
  • [(3-エチルヘプタン-3-イル)スルファニル]カルボニトリル
  • [(3-ethylheptan-3-yl)sulfanyl]carbonitrile
Other name (2)：
  • 1,1-Diethylpentyl thiocyanate
  • 3-Ethyl-3-thiocyanatoheptane
Thsaurus map：
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