2-Butanone, 4,4'-thiobis- supplier

Name
2-Butanone, 4,4-thiobis-
EINECS
CAS No. 40790-04-3
Density 1.032 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₂S
Boiling Point 288.6 °C at 760 mmHg
Molecular Weight 174.264
Flash Point 121.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butanone,4,4'-thiodi- (6CI,7CI);4,4'-Thiodi(2-butanone);5-Thianona-2,8-dione;NSC42865;
PSA 59.44000
LogP 1.67780

2-Butanone, 4,4'-thiobis- Specification

This chemical is called 2-Butanone, 4,4'-thiobis-, and its IUPAC name is 4-(3-oxobutylsulfanyl)butan-2-one. With the molecular formula of C₈H₁₄O₂S, its molecular weight is 174.26. The CAS registry number of this chemical is 40790-04-3.

Other characteristics of the 2-Butanone, 4,4'-thiobis- can be summarised as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.47; (6)ACD/BCF (pH 7.4): 1.47; (7)ACD/KOC (pH 5.5): 45.97; (8)ACD/KOC (pH 7.4): 45.97; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 59.44 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 47.16 cm³; (15)Molar Volume: 168.7 cm³; (16)Polarizability: 18.69×10^-24cm³; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.032 g/cm³; (19)Flash Point: 121.3 °C; (20)Enthalpy of Vaporization: 52.79 kJ/mol; (21)Boiling Point: 288.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00231 mmHg at 25°C.

Uses of this chemical: The 3-acetyl-4-methyltetrahydrothiopyran-4-ol could be obtained by the reactant of 2-Butanone, 4,4'-thiobis-. This reaction should be taken at the temperature of 100-105 °C. The yield is 64 %.

The 3-acetyl-4-methyltetrahydrothiopyran-4-ol could be obtained by the reactant of 2-Butanone, 4,4'-thiobis-

You can still convert the following datas into molecular structure:
1.SMILES: O=C(CCSCCC(=O)C)C
2.InChI: InChI=1/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-6H2,1-2H3
3.InChIKey: CIBUHUTVSRPCRO-UHFFFAOYAC

Product Name

2-Butanone, 4,4-thiobis-

2-Butanone, 4,4'-thiobis- Specification

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