2-Propanone,1-(phenylthio)- supplier

Name
(PHENYLTHIO)PROPANONE
EINECS 200-258-5
CAS No. 5042-53-5
Article Data71
CAS DataBase
Density 1.1 g/cm³
Solubility
Melting Point 32-34 °C
Formula C₉H₁₀OS
Boiling Point 252.4 °C at 760 mmHg
Molecular Weight 166.244
Flash Point 114.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Propanone,(phenylthio)- (6CI,7CI);(Phenylthio)-2-propanone;(Phenylthio)acetone;1-(Phenylthio)-2-propanone;1-(Phenylthio)acetone;Acetonyl phenyl sulfide;N-Benzenesulfenyl-2-propanone;NSC 60970;
PSA 42.37000
LogP 2.36770

2-Propanone,1-(phenylthio)- Specification

The CAS register number of 2-Propanone,1-(phenylthio)- is 5042-53-5. It also can be called as (Phenylthio)-2-propanone and the IUPAC name about this chemical is 1-phenylsulfanylpropan-2-one. The molecular formula about this chemical is C₉H₁₀OS and the molecular weight is 166.24. This chemical may cause inflammation to the skin or other mucous membranes. This chemical is irritant and stenchful. If you want to store it, please keep cold.

Physical properties about 2-Propanone,1-(phenylthio)- are: (1)ACD/LogP: 2.03; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 42.37 Å²; (5)Index of Refraction: 1.561; (6)Molar Refractivity: 48.76 cm³; (7)Molar Volume: 150.5 cm³; (8)Polarizability: 19.33x10^-24cm³; (9)Surface Tension: 41.1 dyne/cm; (10)Density: 1.1 g/cm³; (11)Flash Point: 114.7 °C; (12)Enthalpy of Vaporization: 48.97 kJ/mol; (13)Boiling Point: 252.4 °C at 760 mmHg; (14)Vapour Pressure: 0.0194 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-chloro-propan-2-one and benzenethiol; sodium salt. This reaction will need reagent of water.

Uses of 2-Propanone,1-(phenylthio)-: it can be used to produce benzenesulfonyl-acetone. This reaction will need reagent of aq. KMnO₄ and solvent of acetic acid.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CSc1ccccc1)C
(2)InChI: InChI=1/C9H10OS/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
(3)InChIKey: XREBEJBUPRGGTB-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H10OS/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
(5)Std. InChIKey: XREBEJBUPRGGTB-UHFFFAOYSA-N

Product Name

(PHENYLTHIO)PROPANONE

2-Propanone,1-(phenylthio)- Specification

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