Name: Methylthioacetaldoxime
SKU: 10533-67-2

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Basic Information

Molecular Structure:
CAS No.:	10533-67-2
Name:	Methylthioacetaldoxime
Article Data:	1

Formula:	C₃H₇NOS
Molecular Weight:	105.161
Synonyms:	Acetaldehyde,(methylthio)-, oxime (7CI,8CI,9CI);(Methylthio)acetaldehyde oxime;Acetaldehyde,2-(methylthio)-, oxime;N-Hydroxy-2-(methylsulfanyl)ethanimine;
EINECS:	234-096-2
Density:	1.097 g/cm³
Boiling Point:	209.221 °C at 760 mmHg
Flash Point:	80.335 °C
PSA:	57.89000
LogP:	0.80940

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Specification

The (Methylthio)acetaldoxime, with the CAS registry number 10533-67-2, is also known as Acetaldehyde, 2-(methylthio)-, oxime. Its EINECS number is 234-096-2. This chemical's molecular formula is C₃H₇NOS and molecular weight is 105.16. What's more, its systematic name is N-Hydroxy-2-(methylsulfanyl)ethanimine.

Physical properties of (Methylthio)acetaldoxime are: (1)ACD/LogP: 0.515; (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): 1.45; (6)ACD/BCF (pH 7.4): 1.45; (7)ACD/KOC (pH 5.5): 45.44; (8)ACD/KOC (pH 7.4): 45.41; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.89 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 27.898 cm³; (15)Molar Volume: 95.822 cm³; (16)Polarizability: 11.06×10^-24cm³; (17)Surface Tension: 37.79 dyne/cm; (18)Density: 1.097 g/cm³; (19)Flash Point: 80.335 °C; (20)Enthalpy of Vaporization: 49.093 kJ/mol; (21)Boiling Point: 209.221 °C at 760 mmHg; (22)Vapour Pressure: 0.082 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O\N=C\CSC
(2)Std. InChI: InChI=1S/C3H7NOS/c1-6-3-2-4-5/h2,5H,3H2,1H3/b4-2+
(3)Std. InChIKey: AGVHWUQIIQHFCW-DUXPYHPUSA-N