Methyl tetrahydro-4-methyl-3-oxothiophene-2-carbonate supplier

Name
Methyl 2-Methyl-3-Oxo-Tetrahydrothiophene-2-Carbonate
EINECS
CAS No. 2689-70-5
Article Data1
CAS DataBase
Density 1.224 g/cm³
Solubility
Melting Point
Formula C₇H₁₀O₃S
Boiling Point 254 °C
Molecular Weight 174.221
Flash Point 116 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Carbomethoxy-4-methyl-3-thiophanone;Methyl 4-methyl-3-oxo-2,3,4,5-tetrahydrothiophene-2-carboxylate;Methyl4-methyl-3-oxotetrahydrothiophene-2-carboxylate;
PSA 68.67000
LogP 0.48000

Methyl tetrahydro-4-methyl-3-oxothiophene-2-carbonate Specification

This chemical is called Methyl tetrahydro-4-methyl-3-oxothiophene-2-carbonate, and its systematic name is methyl 2,5-anhydro-4-deoxy-4-methyl-2-thiopent-3-ulosonate. With the molecular formula of C₇H₁₀O₃S, its molecular weight is 174.22. The CAS registry number of this chemical is 2689-70-5.

Other characteristics of the Methyl tetrahydro-4-methyl-3-oxothiophene-2-carbonate can be summarised as followings: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35; (8)ACD/KOC (pH 7.4): 35; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.67 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 42.398 cm³; (15)Molar Volume: 142.295 cm³; (16)Polarizability: 16.808×10^-24cm³; (17)Surface Tension: 40.86 dyne/cm; (18)Density: 1.224 g/cm³; (19)Flash Point: 115.819 °C; (20)Enthalpy of Vaporization: 49.127 kJ/mol; (21)Boiling Point: 253.861 °C at 760 mmHg; (22)Vapour Pressure: 0.018 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)C1SCC(C1=O)C
2.InChI: InChI=1/C7H10O3S/c1-4-3-11-6(5(4)8)7(9)10-2/h4,6H,3H2,1-2H3
3.InChIKey: FOGAQTVNXLQDSO-UHFFFAOYAU
4.Std. InChI: InChI=1S/C7H10O3S/c1-4-3-11-6(5(4)8)7(9)10-2/h4,6H,3H2,1-2H3

Product Name

Methyl 2-Methyl-3-Oxo-Tetrahydrothiophene-2-Carbonate

Methyl tetrahydro-4-methyl-3-oxothiophene-2-carbonate Specification

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