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1-Isothiocyanato-5-(methylsulfinyl)pentane
[CAS# 646-23-1]

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Identification
Name 1-Isothiocyanato-5-(methylsulfinyl)pentane
Synonyms 1-Isothiocyanato-5-Methylsulfinyl-Pentane; 5-Methylsulfinylpentylimino-Thioxo-Methane; 1-Isothiocyanato-5-(Methylsulfinyl)Pentane
Molecular Structure CAS#: 646-23-1, 1-Isothiocyanato-5-(methylsulfinyl)pentane
Molecular Formula C7H13NOS2
Molecular Weight 191.31
CAS Registry Number 646-23-1
SMILES S=C=NCCCCC[S](C)=O
InChI 1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3
InChIKey IUUQPVQTAUKPPB-UHFFFAOYSA-N
Properties
Density 1.147g/cm3 (Cal.)
Boiling point 376.326°C at 760 mmHg (Cal.)
Flash point 181.396°C (Cal.)
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