1,3-Dithiane,2-(1,1-dimethylethyl)-4,6-dimethyl- supplier

Name
2-tert-butyl-4,6-dimethyl-1,3-dithiane
EINECS
CAS No. 53477-35-3
Density 0.965 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₀S₂
Boiling Point 265.1 °C at 760 mmHg
Molecular Weight 204.401
Flash Point 103.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-tert-Butyl-cis-4,cis-6-dimethyl-1,3-dithiane;
PSA
LogP

1,3-Dithiane,2-(1,1-dimethylethyl)-4,6-dimethyl- Specification

The 1,3-Dithiane,2-(1,1-dimethylethyl)-4,6-dimethyl-, with the CAS registry number 53477-35-3, is also known as 2-tert-Butyl-cis-4,cis-6-dimethyl-1,3-dithiane. This chemical's molecular formula is C₁₀H₂₀S₂ and molecular weight is 204.3958. What's more, both its IUPAC name and systematic name are the same which is 2-tert-Butyl-4,6-dimethyl-1,3-dithiane.

Physical properties about 1,3-Dithiane,2-(1,1-dimethylethyl)-4,6-dimethyl- are: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 494.54; (6)ACD/BCF (pH 7.4): 494.54; (7)ACD/KOC (pH 5.5): 2951.95; (8)ACD/KOC (pH 7.4): 2951.95; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 62.38 cm³; (15)Molar Volume: 211.6 cm³; (16)Polarizability: 24.73×10^-24 cm³; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 0.965 g/cm³; (19)Flash Point: 103.9 °C; (20)Enthalpy of Vaporization: 48.28 kJ/mol; (21)Boiling Point: 265.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0153 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S1C(C)CC(SC1C(C)(C)C)C
(2) InChI: InChI=1/C10H20S2/c1-7-6-8(2)12-9(11-7)10(3,4)5/h7-9H,6H2,1-5H3
(3) InChIKey: MFVZIKOLBGYKSR-UHFFFAOYAT

Product Name

2-tert-butyl-4,6-dimethyl-1,3-dithiane

1,3-Dithiane,2-(1,1-dimethylethyl)-4,6-dimethyl- Specification

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