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Home > Encyclopedia > 1-[4-(Methylthio)phenyl]ethanone

1-[4-(Methylthio)phenyl]ethanone

1-[4-(Methylthio)phenyl]ethanone structure

1-[4-(Methylthio)phenyl]ethanone 

structure
  • CAS No:

    1778-09-2

  • Formula:

    C9H10OS

  • Chemical Name:

    1-[4-(Methylthio)phenyl]ethanone

  • Synonyms:

    Ethanone,1-[4-(methylthio)phenyl]-;Acetophenone,4′-(methylthio)-;1-[4-(Methylthio)phenyl]ethanone;p-(Methylmercapto)acetophenone;4′-(Methylmercapto)acetophenone;p-(Methylthio)acetophenone;4′-(Methylthio)acetophenone;p-Acetylphenyl methyl sulfide;4-Acetylthioanisole;Methyl p-acetylphenyl sulfide;p-Acetylthioanisole;Methyl 4-(methylthio)phenyl ketone;4-Acetylphenyl methyl sulfide;NSC 403927;1-(4-Methylsulfanylphenyl)ethanone;4-(Methylsulfenyl)acetophenone;1-Acetyl-4-(methylthio)benzene;1-[4-(Methylsulfanyl)phenyl]ethan-1-one;1-(4-(Methylthio)phenyl)ethan-1-one;918888-01-4

  • Categories:

    Pharmaceutical Intermediates  >  Anti-inflammatory Agents

Description

White to light yellow crystal powde

1-[4-(Methylthio)phenyl]ethanone Basic Attributes

166.24

166.24

1860517

217-213-1

403927

DTXSID3075129

29309099

Characteristics

42.4

2.61110

pale yllow crystals

1.1369 (rough estimate)

79-80 °C

170 °C @ Press: 10 Torr

135°C/1mm

1.5600 (estimate)

0.171mmHg at 25°C

Safety Information

NONH for all modes of transport

3

36/37/38

26-36

Xi

Irritant

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:166.24
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:166.04523611
Monoisotopic Mass:166.04523611
Topological Polar Surface Area:42.4
Heavy Atom Count:11
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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