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1,2,4-Trithiane,3-methyl-

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Name

1,2,4-Trithiane,3-methyl-

EINECS 256-056-3
CAS No. 43040-01-3 Density 1.219 g/cm3
Solubility Melting Point
Formula C4H8S3 Boiling Point 242.5 °C at 760 mmHg
Molecular Weight 152.30 Flash Point 108.2 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 43040-01-3 (1,2,4-Trithiane,3-methyl-) Hazard Symbols
Synonyms

3-Methyl-1,2,4-trithiacyclohexane;3-Methyl-1,2,4-trithiane;

 

1,2,4-Trithiane,3-methyl- Specification

The 1,2,4-Trithiane,3-methyl-, with the CAS registry number 43040-01-3, is also known as 3-Methyl-1,2,4-trithiacyclohexane. Its EINECS number is 256-056-3. This chemical's molecular formula is C4H8S3 and molecular weight is 152.30. What's more, its systematic name is 3-methyl-1,2,4-trithiane. 

Physical properties of 1,2,4-Trithiane,3-methyl- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 28.19; (6)ACD/BCF (pH 7.4): 28.19; (7)ACD/KOC (pH 5.5): 379.86; (8)ACD/KOC (pH 7.4): 379.86; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 75.9 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 43.02 cm3; (15)Molar Volume: 124.8 cm3; (16)Polarizability: 17.05×10-24 cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.219 g/cm3; (19)Flash Point: 108.2 °C; (20)Enthalpy of Vaporization: 46 kJ/mol; (21)Boiling Point: 242.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0527 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1SCCSS1
(2)InChI: InChI=1S/C4H8S3/c1-4-5-2-3-6-7-4/h4H,2-3H2,1H3
(3)InChIKey: UXPUEXDAOSQIQS-UHFFFAOYSA-N

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