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CAS No.: | 74345-73-6 |
---|---|
Name: | (R)-3-(ACETYLTHIO)-2-METHYLPROPIONYL CHLORIDE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H9ClO2S |
Molecular Weight: | 180.655 |
Synonyms: | Ethanethioicacid, S-(3-chloro-2-methyl-3-oxopropyl) ester, (R)-;(2R)-3-Acetylthio-2-methylpropionyl chloride;L-3-(Acetylthio)-2-methylpropanoyl chloride; |
Density: | 1.224 g/cm3 |
Boiling Point: | 229.078 °C at 760 mmHg |
Flash Point: | 92.344 °C |
Risk Codes: | 34 |
Safety: | 36/37/39 |
PSA: | 59.44000 |
LogP: | 1.66760 |
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The Ethanethioic acid,S-[(2R)-3-chloro-2-methyl-3-oxopropyl] ester, with the CAS registry number 74345-73-6, is also known as Ethanethioic acid, S-[(2R)-3-chloro-2-methyl-3-oxopropyl] ester. This chemical's molecular formula is C6H9ClO2S and molecular weight is 180.65. What's more, its systematic name is S-[(2R)-3-chloro-2-methyl-3-oxopropyl] ethanethioate. The product should be sealed and stored in containers with dry inert gas which are placed in cool, ventilated and dry places. It should be protected from air, moisture, oxidizers and light.
Physical properties of Ethanethioic acid,S-[(2R)-3-chloro-2-methyl-3-oxopropyl] ester are: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 59.44 Å2; (7)Index of Refraction: 1.491; (8)Molar Refractivity: 42.71 cm3; (9)Molar Volume: 147.546 cm3; (10)Polarizability: 16.932×10-24 cm3; (11)Surface Tension: 38.477 dyne/cm; (12)Density: 1.224 g/cm3; (13)Flash Point: 92.344 °C; (14)Enthalpy of Vaporization: 46.568 kJ/mol; (15)Boiling Point: 229.078 °C at 760 mmHg; (16)Vapour Pressure: 0.071 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(Cl)[C@H](C)CSC(=O)C
(2)InChI: InChI=1/C6H9ClO2S/c1-4(6(7)9)3-10-5(2)8/h4H,3H2,1-2H3/t4-/m1/s1
(3)InChIKey: LUDPWTHDXSOXDX-SCSAIBSYBB