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Cyclopropyl phenyl sulfide

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Name

Cyclopropyl phenyl sulfide

EINECS N/A
CAS No. 14633-54-6 Density 1.111 g/cm3
PSA 25.30000 LogP 2.94110
Solubility N/A Melting Point N/A
Formula C9H10S Boiling Point 235.572 °C at 760 mmHg
Molecular Weight 150.244 Flash Point 91.667 °C
Transport Information N/A Appearance clear yellowish liquid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 14633-54-6 (CYCLOPROPYL PHENYL SULFIDE) Hazard Symbols IrritantXi
Synonyms

Sulfide,cyclopropyl phenyl (8CI);(Cyclopropylthio)benzene;(Phenylthio)cyclopropane;Cyclopropyl phenyl sulfide;Cyclopropylsulfanylbenzene;Phenyl cyclopropylsulfide;

Article Data 20

Cyclopropyl phenyl sulfide Specification

This chemical is called Benzene, (cyclopropylthio)-, and its systematic name is (cyclopropylsulfanyl)benzene. With the molecular formula of C9H10S, its molecular weight is 150.24. The CAS registry number of this chemical is 14633-54-6. Additionally, its product categories are Cyclopropanes; Simple 3-Membered Ring Compounds; Organic Building Blocks; Sulfides/Disulfides; Sulfur Compounds.

Other characteristics of the Benzene, (cyclopropylthio)- can be summarised as followings: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 3.07; (5)ACD/BCF (pH 5.5): 127.06; (6)ACD/BCF (pH 7.4): 127.06; (7)ACD/KOC (pH 5.5): 1115.99; (8)ACD/KOC (pH 7.4): 1115.99; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 46.59 cm3; (15)Molar Volume: 135.1 cm3; (16)Polarizability: 18.46×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 91.7 °C; (20)Enthalpy of Vaporization: 45.32 kJ/mol; (21)Boiling Point: 235.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0761 mmHg at 25°C.

Production method of this chemical: The Benzene, (cyclopropylthio)- could be obtained by the reactants of Phenylthiotrimethylsilane and 3-trimethylstannanyl-propionaldehyde. This reaction needs the reagent of TiCl4, and the solvent of CH2Cl2. The yield is 78 %. In addition, this reaction should be taken for 15minutes at the temperature of -78 °C.

Uses of this chemical: The phenyl cyclopropyl sulfoxide could be obtained by the reactant of phenylthiocyclopropane. This reaction needs the reagent of NaIO4.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: S(c1ccccc1)C2CC2
2.InChI: InChI=1/C9H10S/c1-2-4-8(5-3-1)10-9-6-7-9/h1-5,9H,6-7H2
3.InChIKey: YIBKCPJOFAUAKY-UHFFFAOYAF

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