1,3-Dithiol-2-one, 4,5-dimethyl- supplier

Name
4,5-dimethyl-1,3-dithiol-2-one
EINECS
CAS No. 49675-88-9
Article Data2
CAS DataBase
Density 1.289 g/cm³
Solubility
Melting Point
Formula C₅H₆OS₂
Boiling Point 240.4 °C at 760 mmHg
Molecular Weight 146.234
Flash Point 104.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Dithiol-2-one, 4,5-dimethyl-;
PSA
LogP

1,3-Dithiol-2-one, 4,5-dimethyl- Specification

The 1,3-Dithiol-2-one, 4,5-dimethyl-, with the CAS registry number 49675-88-9, is also known as AC1L3LML. This chemical's molecular formula is C₅H₆OS₂ and molecular weight is 146.23054. Its IUPAC name is called 4,5-dimethyl-1,3-dithiol-2-one.

Physical properties of 1,3-Dithiol-2-one, 4,5-dimethyl-: (1)ACD/LogP: 2.15; (2)ACD/LogD (pH 5.5): 2.15; (3)ACD/LogD (pH 7.4): 2.15; (4)ACD/BCF (pH 5.5): 25.39; (5)ACD/BCF (pH 7.4): 25.39; (6)ACD/KOC (pH 5.5): 352.43; (7)ACD/KOC (pH 7.4): 352.43; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.609; (10)Molar Refractivity: 39.3 cm³; (11)Molar Volume: 113.4 cm³; (12)Surface Tension: 43.1 dyne/cm; (13)Density: 1.289 g/cm³; (14)Flash Point: 104.9 °C; (15)Enthalpy of Vaporization: 47.73 kJ/mol; (16)Boiling Point: 240.4 °C at 760 mmHg; (17)Vapour Pressure: 0.038 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(SC(=O)S1)C
(2)InChI: InChI=1S/C5H6OS2/c1-3-4(2)8-5(6)7-3/h1-2H3
(3)InChIKey: VMXYRSCGWFWNLN-UHFFFAOYSA-N

Product Name

4,5-dimethyl-1,3-dithiol-2-one

1,3-Dithiol-2-one, 4,5-dimethyl- Specification

Related Products

Hot Products