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56403-12-4

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Basic Information
CAS No.: 56403-12-4
Name: S-tert-butyl 2-bromobutanethioate
Molecular Structure:
Molecular Structure of 56403-12-4 (S-tert-butyl 2-bromobutanethioate)
Formula: C8H15BrOS
Molecular Weight: 239.177
Density: 1.29 g/cm3
Boiling Point: 239.3 °C at 760 mmHg
Flash Point: 98.5 °C
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  • Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester

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    Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester

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    Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester

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  • Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester

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    Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester

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  • Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester

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    Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester

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  • Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester cas 56403-12-4

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    Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester cas 56403-12-4Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester

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    Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester

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Specification

The Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester has CAS registry number 56403-12-4. This chemical's molecular formula is C8H15BrOS and molecular weight is 239.17. What's more, its IUPAC name is S-tert-butyl 2-bromobutanethioate.

Physical properties of Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 42.37 Å2; (7)Index of Refraction: 1.503; (8)Molar Refractivity: 54.79 cm3; (9)Molar Volume: 185.2 cm3; (10)Polarizability: 21.72×10-24cm3; (11)Surface Tension: 35 dyne/cm; (12)Density: 1.29 g/cm3; (13)Flash Point: 98.5 °C; (14)Enthalpy of Vaporization: 47.62 kJ/mol; (15)Boiling Point: 239.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0405 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SC(C)(C)C)C(Br)CC
(2)Std. InChI: InChI=1S/C8H15BrOS/c1-5-6(9)7(10)11-8(2,3)4/h6H,5H2,1-4H3
(3)Std. InChIKey: AXPHOKJPRKXCPV-UHFFFAOYSA-N