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CAS No.: | 14633-54-6 |
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Name: | CYCLOPROPYL PHENYL SULFIDE |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C9H10S |
Molecular Weight: | 150.244 |
Synonyms: | Sulfide,cyclopropyl phenyl (8CI);(Cyclopropylthio)benzene;(Phenylthio)cyclopropane;Cyclopropyl phenyl sulfide;Cyclopropylsulfanylbenzene;Phenyl cyclopropylsulfide; |
Density: | 1.111 g/cm3 |
Boiling Point: | 235.572 °C at 760 mmHg |
Flash Point: | 91.667 °C |
Appearance: | clear yellowish liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 25.30000 |
LogP: | 2.94110 |
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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