1-[4-(Phenylthio)phenyl]ethanone
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![1-[4-(Phenylthio)phenyl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5c832d6700d24ac0aa81b3f69a65992b.png "1-[4-(Phenylthio)phenyl]ethanone")
1-[4-(Phenylthio)phenyl]ethanone
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CAS No:
10169-55-8
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Formula:
C14H12OS
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Chemical Name:
1-[4-(Phenylthio)phenyl]ethanone
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Synonyms:
Ethanone,1-[4-(phenylthio)phenyl]-;Acetophenone,4′-(phenylthio)-;1-[4-(Phenylthio)phenyl]ethanone;4-Acetyldiphenyl sulfide;4′-(Phenylthio)acetophenone;p-(Phenylthio)acetophenone;p-Acetylphenyl phenyl sulfide;4-(Phenylthio)acetophenone;NSC 158592;1-[4-(Phenylthio)phenyl]ethan-1-one;4′-(Phenylsulfanyl)acetophenone;4-Acetylphenyl phenyl sulfide;1-(4-Phenylsulfanylphenyl)ethanone;1-[4-(Phenylsulfanyl)phenyl]ethan-1-one
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CAS No:
1-[4-(Phenylthio)phenyl]ethanone Basic Attributes
228.31
228.31
2049296
233-443-5
8QDW7AGZ9C
158592
DTXSID10144121
Characteristics
42.4
4.26
1.17±0.1 g/cm3(Predicted)
67-68 °C
180 °C @ Press: 1 Torr
183-184°C/3mm
1.628
Safety Information
20/21/22
23-36/37/39
P261, P272, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, P501
H317
|Danger|H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:228.31
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:228.06088618
Monoisotopic Mass:228.06088618
Topological Polar Surface Area:42.4
Heavy Atom Count:16
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1-[4-(Phenylthio)phenyl]ethanone
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