CAS No.45378-62-9,1-METHYLTHIO-2,3-EPOXYPROPANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	45378-62-9
Name:	1-METHYLTHIO-2,3-EPOXYPROPANE

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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Specification

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