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Name |
Benzeneaceticacid, a-[(carboxymethyl)thio]- |
EINECS | N/A |
CAS No. | 13330-93-3 | Density | 1.42g/cm3 |
PSA | 99.90000 | LogP | 1.63010 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10O4S | Boiling Point | 412.6 °C at 760 mmHg |
Molecular Weight | 226.249 | Flash Point | 203.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aceticacid, 2-phenyl-2,2'-thiodi- (6CI,7CI,8CI);NSC 109959; |
The Benzeneaceticacid, a-[(carboxymethyl)thio]-, with CAS registry number 13330-93-3, has the systematic name of [(carboxymethyl)sulfanyl](phenyl)acetic acid. Besides this, it is also called 2-(carboxymethylsulfanyl)-2-phenyl-acetic acid. And the chemical formula of this chemical is C10H10O4S.
Physical properties of Benzeneaceticacid, a-[(carboxymethyl)thio]-: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 77.9 Å2; (7)Index of Refraction: 1.623; (8)Molar Refractivity: 56.19 cm3; (9)Molar Volume: 159.2 cm3; (10)Polarizability: 22.27×10-24cm3; (11)Surface Tension: 67.4 dyne/cm; (12)Density: 1.42 g/cm3; (13)Flash Point: 203.4 °C; (14)Enthalpy of Vaporization: 70.15 kJ/mol; (15)Boiling Point: 412.6 °C at 760 mmHg; (16)Vapour Pressure: 1.51E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(SCC(=O)O)c1ccccc1
(2)InChI: InChI=1/C10H10O4S/c11-8(12)6-15-9(10(13)14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)(H,13,14)
(3)InChIKey: AIUNWFBYULOSRS-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H10O4S/c11-8(12)6-15-9(10(13)14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)(H,13,14)
(5)Std. InChIKey: AIUNWFBYULOSRS-UHFFFAOYSA-N