Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
Acetic acid, mercapto-, phenylmethyl ester; |
Article Data | 6 |
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