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CAS No.: | 45378-62-9 |
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Name: | 1-METHYLTHIO-2,3-EPOXYPROPANE |
Molecular Structure: | |
Formula: | C4H8OS |
Molecular Weight: | 104.173 |
Synonyms: | Oxirane,[(methylthio)methyl]- (9CI); |
EINECS: | 256-238-2 |
Density: | 1.087 g/cm3 |
Boiling Point: | 143.8 °C at 760 mmHg |
Flash Point: | 40.8 °C |
PSA: | 37.83000 |
LogP: | 0.74820 |
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The [(Methylthio)methyl]oxirane, with CAS registry number 45378-62-9, has the systematic name of 2-[(methylsulfanyl)methyl]oxirane. And its IUPAC name is the same one. And the chemical formula of this chemical is C4H8OS. What's more, its EINECS is 256-238-2.
Physical properties of [(Methylthio)methyl]oxirane: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.27; (6)ACD/BCF (pH 7.4): 2.27; (7)ACD/KOC (pH 5.5): 62.55; (8)ACD/KOC (pH 7.4): 62.55; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.83 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 28.15 cm3; (15)Molar Volume: 95.8 cm3; (16)Polarizability: 11.16×10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Enthalpy of Vaporization: 36.52 kJ/mol; (19)Vapour Pressure: 6.58 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S(C)CC1OC1
(2)InChI: InChI=1/C4H8OS/c1-6-3-4-2-5-4/h4H,2-3H2,1H3
(3)InChIKey: OSIXFNQHNPOVIA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C4H8OS/c1-6-3-4-2-5-4/h4H,2-3H2,1H3
(5)Std. InChIKey: OSIXFNQHNPOVIA-UHFFFAOYSA-N