Chem
J-GLOBAL ID：200907000838390641   Nikkaji number：J2.367.384C

1,1-Dipentylhexyl thiocyanate

1,1-ジペンチルヘキシルチオシアナート
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： C17H33NS
Molecular formula furigana： C17-H33-N-S
Molecular weight： 283.520
InChI： InChI=1S/C17H33NS/c1-4-7-10-13-17(19-16-18,14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3
InChI key： LDXJTIBQBOUTMK-UHFFFAOYSA-N
SMILES： CCCCCC(CCCCC)(CCCCC)SC#N
Systematic name  (4)：
  • 1,1-ジペンチルヘキシルチオシアナート
  • 6-ペンチル-6-チオシアナトウンデカン
  • [(6-ペンチルウンデカン-6-イル)スルファニル]カルボニトリル
  • [(6-pentylundecan-6-yl)sulfanyl]carbonitrile
Other name (2)：
  • 1,1-Dipentylhexyl thiocyanate
  • 6-Pentyl-6-thiocyanatoundecane
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