Chem
J-GLOBAL ID：200907079908878448
Nikkaji number：J2.367.381I
1-Phenylhexyl thiocyanate
1-フェニルヘキシルチオシアナート
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： C13H17NS
Molecular formula furigana： C13-H17-N-S
Molecular weight： 219.350
InChI：
InChI=1S/C13H17NS/c1-2-3-5-10-13(15-11-14)12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10H2,1H3
InChI key：
HSEFIBRFQXXJJY-UHFFFAOYSA-N
SMILES：
CCCCCC(SC#N)c1ccccc1
Systematic name (3)：
- 1-フェニルヘキシルチオシアナート
- [(1-フェニルヘキシル)スルファニル]カルボニトリル
- [(1-phenylhexyl)sulfanyl]carbonitrile
- 1-Phenylhexyl thiocyanate
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