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Home >> Chemical Listing >> Page 684 >> 6,6-Dimethyl-3-(Methylsulfanyl)-6,7-Dihydro-2-Benzothiophen-4(5H)-One

6,6-Dimethyl-3-(Methylsulfanyl)-6,7-Dihydro-2-Benzothiophen-4(5H)-One
[CAS# 172516-40-4]

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Identification
Name 6,6-Dimethyl-3-(Methylsulfanyl)-6,7-Dihydro-2-Benzothiophen-4(5H)-One
Synonyms Maybridge4_002401; ZINC04350035
Molecular Structure CAS#: 172516-40-4, 6,6-Dimethyl-3-(Methylsulfanyl)-6,7-Dihydro-2-Benzothiophen-4(5H)-One
Molecular Formula C11H14OS2
Molecular Weight 226.36
CAS Registry Number 172516-40-4
SMILES O=C2c1c(csc1SC)CC(C2)(C)C
InChI 1S/C11H14OS2/c1-11(2)4-7-6-14-10(13-3)9(7)8(12)5-11/h6H,4-5H2,1-3H3
InChIKey YPIRDYZTVBKCEL-UHFFFAOYSA-N
Properties
Density 1.21g/cm3 (Cal.)
Boiling point 337.212°C at 760 mmHg (Cal.)
Flash point 157.741°C (Cal.)
Refractive index 1.593 (Cal.)
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