4H-Thiopyran-4-one,2-(methylthio)-6-phenyl- supplier

Name
2-Methylthio-6-phenyl-4H-thiopyran-4-one
EINECS
CAS No. 113544-16-4
Density 1.29 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀OS₂
Boiling Point 390.1 °C at 760 mmHg
Molecular Weight 234.343
Flash Point 173.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Methylsulfanyl)-6-phenyl-4H-thiopyran-4-one;
PSA 70.61000
LogP 3.49720

4H-Thiopyran-4-one,2-(methylthio)-6-phenyl- Specification

The 4H-Thiopyran-4-one,2-(methylthio)-6-phenyl-, with the CAS registry number of 113544-16-4, is also known as 2-(Methylsulfanyl)-6-phenyl-4H-thiopyran-4-one. Its molecular formula is C₁₂H₁₀OS₂ and molecular weight is 234.3372. What's more, its IUPAC name is 2-Methylsulfanyl-6-phenylthiopyran-4-one.

Physical properties about the 4H-Thiopyran-4-one,2-(methylthio)-6-phenyl- are: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.23; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 67.67 Å²; (9)Index of Refraction: 1.672; (10)Molar Refractivity: 68 cm³; (11)Molar Volume: 181.4 cm³; (12)Surface Tension: 54.1 dyne/cm; (13)Density: 1.29 g/cm³; (14)Flash Point: 173.7 °C; (15)Enthalpy of Vaporization: 63.95 kJ/mol; (16)Boiling Point: 390.1 °C at 760 mmHg; (17)Vapour Pressure: 2.72E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1/C=C(\SC(/SC)=C/1)c2ccccc2
(2) InChI: InChI=1/C12H10OS2/c1-14-12-8-10(13)7-11(15-12)9-5-3-2-4-6-9/h2-8H,1H3
(3) InChIKey: IETMKYFYBRQFCW-UHFFFAOYAM

Product Name

2-Methylthio-6-phenyl-4H-thiopyran-4-one

4H-Thiopyran-4-one,2-(methylthio)-6-phenyl- Specification

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