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Mercaptoacetic acid benzyl ester

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Name

Mercaptoacetic acid benzyl ester

EINECS N/A
CAS No. 7383-63-3 Density 1.166 g/cm3
PSA 65.10000 LogP 1.65960
Solubility N/A Melting Point N/A
Formula C9H10O2S Boiling Point 285.9 °C at 760 mmHg
Molecular Weight 182.243 Flash Point 182.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7383-63-3 (Mercaptoacetic acid benzyl ester) Hazard Symbols N/A
Synonyms

Acetic acid, mercapto-, phenylmethyl ester;

Article Data 6

Mercaptoacetic acid benzyl ester 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

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