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| CAS No.: | 7383-63-3 |
|---|---|
| Name: | Mercaptoacetic acid benzyl ester |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C9H10O2S |
| Molecular Weight: | 182.243 |
| Synonyms: | Acetic acid, mercapto-, phenylmethyl ester; |
| Density: | 1.166 g/cm3 |
| Boiling Point: | 285.9 °C at 760 mmHg |
| Flash Point: | 182.7 °C |
| PSA: | 65.10000 |
| LogP: | 1.65960 |
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- Total:19 Page 1 of 1 1
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Specification
The Mercaptoacetic acid benzyl ester with the CAS number 7383-63-3 is also called Acetic acid, mercapto-, phenylmethyl ester. The systematic name is benzyl sulfanylacetate. Its molecular formula is C9H10O2S. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the Mercaptoacetic acid benzyl ester are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 51.6Å2; (7)Index of Refraction: 1.554; (8)Molar Refractivity: 50.1 cm3; (9)Molar Volume: 156.2 cm3; (10)Polarizability: 19.86×10-24cm3; (11)Surface Tension: 43 dyne/cm; (12)Enthalpy of Vaporization: 52.5 kJ/mol; (13)Vapour Pressure: 0.00272 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)CS
(2)InChI: InChI=1/C9H10O2S/c10-9(7-12)11-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2
(3)InChIKey: XTCXSNIRIUQZLY-UHFFFAOYAC