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536975-49-2

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Basic Information
CAS No.: 536975-49-2
Name: [[difluoro(triMethylsilyl)Methyl]thio]-Benzene
Article Data: 10
Molecular Structure:
Molecular Structure of 536975-49-2 ([[difluoro(triMethylsilyl)Methyl]thio]-Benzene)
Formula: C10H14F2SSi
Molecular Weight: 232.369
Synonyms: (Difluoro(phenylthio)methyl)trimethylsilane;
Density: 1.074 g/cm3
Boiling Point: 208.986 °C at 760 mmHg
Flash Point: 80.192 °C
PSA: 25.30000
LogP: 4.66880
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Specification

The Benzene, [[difluoro(trimethylsilyl)methyl]thio]- has the CAS registry number 536975-49-2. This chemical's molecular formula is C10H14F2SSi and molecular weight is 232.37. What's more, its systematic name is [difluoro(phenylsulfanyl)methyl](trimethyl)silane.

Physical properties of Benzene, [[difluoro(trimethylsilyl)methyl]thio]- are: (1)ACD/LogP: 4.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 822; (6)ACD/BCF (pH 7.4): 822; (7)ACD/KOC (pH 5.5): 4246; (8)ACD/KOC (pH 7.4): 4246; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 62.286 cm3; (15)Molar Volume: 216.397 cm3; (16)Polarizability: 24.692×10-24cm3; (17)Surface Tension: 26.482 dyne/cm; (18)Density: 1.074 g/cm3; (19)Flash Point: 80.192 °C; (20)Enthalpy of Vaporization: 42.709 kJ/mol; (21)Boiling Point: 208.986 °C at 760 mmHg; (22)Vapour Pressure: 0.3 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(Sc1ccccc1)[Si](C)(C)C
(2)InChI: InChI=1S/C10H14F2SSi/c1-14(2,3)10(11,12)13-9-7-5-4-6-8-9/h4-8H,1-3H3
(3)InChIKey: NNNLERGMVGBYSD-UHFFFAOYSA-N